SCHEMBL6158885

SCHEMBL6158885

CC(=O)NC1(c2ccccc2)CC[N]CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SSTR4 P31391 1/20 0.40
ALOX15 P16050 1/20 0.39
VNN1 O95497 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
TACR3 P29371 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5987740 0.88 POLB (0.65) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11738289 0.86 ALDH1A1 (0.45) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13626300 0.84 POLB (0.61) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20738594 0.84 POLB (0.61) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11692509 0.83 POLB (0.60) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2231946 0.80 POLB (0.57) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7873219 0.79 POLB (0.47) POLBALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL2479293 0.79 POLB (0.56) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14000285 0.79 POLB (0.68) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13774961 0.78 ALDH1A1 (0.71) POLBALDH1A1KDM4EHPGDHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709375-B1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-05-18 EP claimed
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP claimed
EP-0865430-B1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ASTRAZENECA AB (SE) 2004-03-03 EP claimed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP claimed
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 EP claimed
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
EP-0808303-B1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ASTRAZENECA AB (SE) 2001-06-20 EP claimed
EP-0865430-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS AstraZeneca AB (SE) 1998-09-23 EP claimed
US-5731309-A Substituted heteroalkyleneamine neurokinin antagonists ZENECA LIMITED (GB) 1998-03-24 US claimed
US-5710169-A NEUROKININ ANTAGONISTS; ANTIHISTAMINES, BRONCHODILATOR AGENTS; ASTHMA ZENECA LIMITED (GB) 1998-01-20 US claimed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP claimed
WO-1997019060-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1997-05-29 WO claimed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US claimed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP claimed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP claimed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO claimed
EP-0709376-A2 Therapeutic compounds ZENECA LIMITED (GB) 1996-05-01 EP claimed
EP-0709375-A2 Therapeutic heterocycles ZENECA LIMITED (GB) 1996-05-01 EP claimed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP claimed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO claimed