Sugi Predict

Sugi Predict / Compounds / SCHEMBL4045949

SCHEMBL4045949

SCHEMBL4045949

Cc1ccc(CCNC(=O)c2ccc(N/C(=N\[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N3CCN[C@@H](C)C3)cc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 18/20 0.54
▸ MC4R P32245 6/20 0.54
▸ MC3R P41968 6/20 0.54
▸ MC1R Q01726 2/20 0.43
▸ MAPT P10636 1/20 0.35
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL4045953 1.00 MC5R (0.54) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4045951 1.00 MC5R (0.54) MC5RMC4RMC3RMC1RMAPT
SCHEMBL2742682 0.93 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL368269 0.93 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4041371 0.92 MC5R (0.52) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4041366 0.92 MC5R (0.52) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4041368 0.92 MC5R (0.52) MC5RMC4RMC3RMC1RMAPT
SCHEMBL4050292 0.88 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4050286 0.88 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4050294 0.88 MC5R (0.53) 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