SCHEMBL13271677

SCHEMBL13271677

CN1CCCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)C2Cc3cc(Cl)ncc3N2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 17/20 0.44
▸ MC5R P33032 9/20 0.44
▸ MC3R P41968 3/20 0.42
▸ MC1R Q01726 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ UGCG Q16739 2/20 0.41
▸ PYGL P06737 1/20 0.40
▸ PYGM P11217 1/20 0.40
▸ CYP51A1 Q16850 1/20 0.40

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
SCHEMBL13271500 0.87 PYGL (0.41) MC4RMC5RMC3RMC1RPYGL
SCHEMBL13271644 0.84 PYGL (0.41) MC4RMC5RMC3RMC1RPYGL
SCHEMBL14144446 0.84 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL13271678 0.80 CYP51A1 (0.48) MC4RMC5RMC3RMC1RPYGL
SCHEMBL2608542 0.80 AVPR1A (0.44) —
SCHEMBL2606824 0.78 CYP51A1 (0.57) CYP3A4UGCGPYGLPYGMCYP51A1
SCHEMBL14144445 0.76 KDM4E (0.36) MC4RMC5RMC3RPYGL
SCHEMBL2608568 0.75 MC4R (0.43) MC4RMC5RMC3RMC1RPYGL
SCHEMBL13271484 0.75 MC4R (0.41) MC4RCYP3A4
SCHEMBL2607048 0.74 CYP51A1 (0.61) CYP3A4UGCGPYGLPYGMCYP51A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 — — EP disclosed
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