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SCHEMBL4041368

SCHEMBL4041368

Cc1ccc(CCNC(=O)c2ccc(NC(=N[C@H]3C[C@@H]4C[C@@H]([C@H]3C)C4(C)C)N3CC(C)NC(C)C3)cc2)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 17/20 0.52
▸ MC4R P32245 6/20 0.52
▸ MC3R P41968 6/20 0.52
▸ MC1R Q01726 2/20 0.40
▸ MAPT P10636 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL4041366 1.00 MC5R (0.52) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4041371 1.00 MC5R (0.52) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4045949 0.92 MC5R (0.54) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4045953 0.92 MC5R (0.54) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4045951 0.92 MC5R (0.54) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4041562 0.88 MC5R (0.69) MC5RMC4RMC3RMC1R
SCHEMBL4041552 0.88 MC5R (0.69) MC5RMC4RMC3RMC1R
SCHEMBL4041557 0.88 MC5R (0.69) MC5RMC4RMC3RMC1R
SCHEMBL4045824 0.86 MC5R (0.51) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4045818 0.86 MC5R (0.51) MC5RMC4RMC3RMC1RNAMPT

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
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 — — EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 — — EP disclosed