SCHEMBL6158921

SCHEMBL6158921

O=C1NCCCN1C1(C(=O)N2CCCC2)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
HSD11B1 P28845 7/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
CDA P32320 2/20 0.31
MAPK1 P28482 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6158917 0.85 HSD11B1 (0.32) HSD11B1ALDH1A1POLBGAAMEN1
SCHEMBL8296784 0.82 CA2 (0.36) CA2CHKAHSD11B1ALDH1A1POLB
SCHEMBL6946153 0.78 CYP1A2 (0.33) KMT2ACYP1A2
SCHEMBL6159543 0.78 PPIA (0.34) CYP1A2CYP3A4
SCHEMBL4612243 0.75 CA2 (0.44) CA2CHKAHSD11B1ALDH1A1MEN1
SCHEMBL4610760 0.74 CA2 (0.47) CA2CHKAHSD11B1ALDH1A1MEN1
SCHEMBL4609731 0.74 CA2 (0.47) CA2CHKAHSD11B1ALDH1A1MEN1
SCHEMBL6160759 0.73 MEN1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL6160467 0.70 SMN1; SMN2 (0.33) ALDH1A1CYP3A4TSHR
SCHEMBL4832069 0.70 CDA (0.36) CDA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP claimed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP claimed
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
US-6355695-B1 ANTIHISTAMINES; ASTHMA THERAPY ZENECA LIMITED (SE) 2002-03-12 US disclosed
US-6235757-B1 ANTIHISTAMINES ZENECA LIMITED (GB) 2001-05-22 US disclosed
US-6051580-A Substituted heterocycles ZENECA LIMITED 2000-04-18 US disclosed
EP-0726893-B1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5889024-A Substituted heterocycles ZENECA LIMITED (GB) 1999-03-30 US disclosed
US-5677317-A Lactam compounds which are useful in the treatment of asthma ZENECA LIMITED (GB) 1997-10-14 US disclosed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP disclosed
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed
WO-1995012577-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1995-05-11 WO disclosed