SCHEMBL6158571

SCHEMBL6158571

COC(=O)C1(N2CCCCC2=O)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.35
HSD11B1 P28845 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRM1 P35372 2/20 0.32
STAT6 P42226 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MMP3 P08254 1/20 0.31
MMP10 P09238 1/20 0.31
OPRL1 P41146 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL6159606 0.85 OPRM1 (0.42) OPRM1ALDH1A1
SCHEMBL6160228 0.84 CYP1A2 (0.33) CYP1A2ALDH1A1
SCHEMBL6158568 0.83 HSD11B1 (0.37) PPIAHSD11B1NR1H2NR1H3
SCHEMBL8913135 0.82 KMT2A (0.31) CYP1A2CYP3A4
SCHEMBL6159543 0.81 PPIA (0.34) PPIACYP1A2CYP3A4CYP2C19OPRM1
SCHEMBL8301187 0.81 KDM4E (0.34) ALDH1A1TP53MAPT
SCHEMBL8301176 0.81 HTT (0.36) CYP1A2ALDH1A1
SCHEMBL16757131 0.80 PPIA (0.41) PPIAHSD11B1OPRM1ALDH1A1MAPT
SCHEMBL6159570 0.80 MAPT (0.32) CYP1A2MAPT
SCHEMBL8300377 0.80 FPR3 (0.35) MAPT

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 15 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
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP 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
EP-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO 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