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SCHEMBL4050134

SCHEMBL4050134

COc1ccc(CCNC(=O)c2ccc(NC(=N[C@H]3C[C@@H]4C[C@@H]([C@H]3C)C4(C)C)N3C[C@@H](C)N[C@@H](C)C3)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 10/20 0.50
▸ MC4R P32245 6/20 0.50
▸ MC3R P41968 6/20 0.50
▸ NAMPT P43490 8/20 0.42
▸ MC1R Q01726 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL4050128 1.00 MC5R (0.50) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL4050137 1.00 MC5R (0.50) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL13068821 0.93 MC5R (0.52) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL18433159 0.93 MC5R (0.52) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL4049534 0.93 MC5R (0.52) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL4049528 0.93 MC5R (0.52) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL14627481 0.93 MC5R (0.52) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL14541435 0.93 MC5R (0.52) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL2669494 0.93 MC5R (0.52) MC5RMC4RMC3RNAMPTMC1R
SCHEMBL4049536 0.93 MC5R (0.52) MC5RMC4RMC3RNAMPTMC1R

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