SCHEMBL14074340

SCHEMBL14074340

Cc1cc(C2CCN(C(=O)[C@@H]3CN(C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c([C@H](I)NCCN)cc1C

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.58
▸ MC3R P41968 2/20 0.58
▸ PRCP P42785 15/20 0.56
▸ MC5R P33032 1/20 0.52

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
SCHEMBL14065586 0.90 MC4R (0.67) MC4RMC3RPRCPMC5R
SCHEMBL14074339 0.90 MC4R (0.55) MC4RMC3RPRCP
SCHEMBL14074459 0.88 PRCP (0.62) MC4RMC3RPRCP
Trifluoroacetic Acid SCHEMBL4840684 0.87 MC4R (0.63) MC4RMC3RPRCPMC5R
SCHEMBL14065621 0.86 MC4R (0.65) MC4RMC3RPRCPMC5R
SCHEMBL14065581 0.86 MC4R (0.65) MC4RMC3RPRCPMC5R
SCHEMBL4844333 0.86 MC4R (0.64) MC4RMC3RPRCPMC5R
SCHEMBL14065587 0.85 MC4R (0.59) MC4RMC3RPRCPMC5R
SCHEMBL14294626 0.85 MC4R (0.65) MC4RMC3RPRCPMC5R
SCHEMBL14294720 0.85 MC4R (0.65) MC4RMC3RPRCPMC5R

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
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 — — US disclosed
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