SCHEMBL14185776

SCHEMBL14185776

C=C1CCC(C(=O)NC(CC(N)=O)C(=O)N2CCCC2C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)N1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ GNRHR P30968 1/20 0.47
▸ KISS1R Q969F8 4/20 0.47
▸ TACR1 P25103 1/20 0.46
▸ ABCC2 Q92887 1/20 0.46
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ DPP3 Q9NY33 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
SCHEMBL14185777 0.97 PTGS1 (0.47) OPRM1PTGS1GNRHRKISS1RTACR1
SCHEMBL14185769 0.95 PTGS1 (0.54) OPRM1PTGS1GNRHRKISS1RTACR1
SCHEMBL14185767 0.95 DPP3 (0.44) OPRM1PTGS1GNRHRKISS1RTACR1
SCHEMBL14185778 0.93 TACR1 (0.43) OPRM1PTGS1GNRHRKISS1RTACR1
SCHEMBL14185779 0.91 PTGS1 (0.49) OPRM1PTGS1GNRHRKISS1RTACR1
SCHEMBL14185772 0.91 PTGS1 (0.48) OPRM1PTGS1GNRHRABCC2DPP3
SCHEMBL14185784 0.90 PTGS1 (0.46) OPRM1PTGS1GNRHRABCC2DPP3
SCHEMBL14185771 0.86 OPRM1 (0.59) OPRM1PTGS1KISS1RTACR1OPRD1
SCHEMBL14185770 0.86 OPRM1 (0.59) OPRM1PTGS1KISS1RTACR1OPRD1
SCHEMBL14215098 0.84 KISS1R (0.57) OPRM1PTGS1GNRHRKISS1RTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378397-B2 TRH-degrading ectoenzyme inhibitors THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2008-05-27 — — US disclosed
US-7378397-B2 TRH-degrading ectoenzyme inhibitors THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2008-05-27 — — US disclosed
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