SCHEMBL3175753

SCHEMBL3175753

C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@]1(O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 20/20 1.00
MC3R P41968 7/20 1.00
MC5R P33032 7/20 1.00
MC1R Q01726 5/20 1.00
KCNH2 Q12809 3/20 1.00

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
SCHEMBL13525594 1.00 MC4R (1.00) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL3175749 1.00 MC4R (1.00) MC4RMC3RMC5RMC1RKCNH2
Hydrochloric Acid SCHEMBL1920669 0.99 MC4R (1.00) MC4RMC3RMC5RMC1RKCNH2
Hydrochloric Acid SCHEMBL1920668 0.99 MC4R (1.00) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL13525570 0.95 MC4R (0.91) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL3176382 0.95 MC4R (0.91) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL12533588 0.94 MC4R (1.00) MC4RMC3RMC5RMC1RKCNH2
Pf-00446687 SCHEMBL1921719 0.94 MC4R (1.00) MC4RMC3RMC5RMC1RKCNH2
Pf-00446687 SCHEMBL13525576 0.94 MC4R (1.00) MC4RMC3RMC5RMC1RKCNH2
Pf-00446687 SCHEMBL3161207 0.94 MC4R (1.00) MC4RMC3RMC5RMC1RKCNH2

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-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 US claimed