SCHEMBL6160862

SCHEMBL6160862

CC1(N2CCCNC2=O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.50
OPRM1 P35372 2/20 0.50
OPRK1 P41145 2/20 0.50
OPRD1 P41143 1/20 0.50
TSHR P16473 3/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
CYP3A4 P08684 3/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 6/20 0.45
CYP2D6 P10635 6/20 0.45
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
DRD2 P14416 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL4828466 0.82 OPRL1 (0.48) OPRL1OPRM1OPRK1OPRD1TSHR
SCHEMBL6159676 0.80 L3MBTL1 (0.51) OPRL1OPRM1OPRK1OPRD1TSHR
SCHEMBL8940524 0.78 DRD2 (0.48) OPRL1OPRM1OPRK1OPRD1TSHR
SCHEMBL17608847 0.74 LTA4H (0.62) OPRL1OPRM1OPRK1OPRD1TSHR
SCHEMBL1206594 0.73 SIGMAR1 (0.65) OPRL1OPRM1TSHRCYP2C19ALDH1A1
SCHEMBL2086353 0.73 MEN1 (0.51) OPRL1OPRM1OPRK1OPRD1TSHR
SCHEMBL29024011 0.73 SIGMAR1 (0.54) TSHRCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL21354221 0.73 SIGMAR1 (0.54) TSHRCYP2C19ALDH1A1MEN1KMT2A
SCHEMBL1971476 0.72 SIGMAR1 (0.53) OPRL1TSHRCYP2C19ALDH1A1MEN1
SCHEMBL6191540 0.72 CYP3A4 (0.50) OPRL1TSHRCYP2C19ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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