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Sugi Predict / Compounds / SCHEMBL4038136

SCHEMBL4038136

SCHEMBL4038136

C[C@H]1[C@@H](N=C(Nc2ccc(C(=O)NCCc3ccc(Br)cc3F)cc2)N2CCN[C@@H](C)C2)C[C@@H]2C[C@@H]1C2(C)C

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 0.42
▸ NAMPT P43490 1/20 0.35
▸ USP28 Q96RU2 2/20 0.34
▸ USP25 Q9UHP3 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
SCHEMBL4038137 1.00 MC5R (0.52) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4038130 1.00 MC5R (0.52) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4050286 0.93 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4050292 0.93 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4050294 0.93 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL368269 0.93 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL2742682 0.93 MC5R (0.53) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4045818 0.93 MC5R (0.51) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4045824 0.93 MC5R (0.51) MC5RMC4RMC3RMC1RNAMPT
SCHEMBL4045828 0.93 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