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SCHEMBL12533740

SCHEMBL12533740

C[C@@H]1CN(C(=O)[C@@H]2CN(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
▸ MC5R P33032 8/20 1.00
▸ MC3R P41968 5/20 0.77
▸ MC1R Q01726 5/20 0.77
▸ KCNH2 Q12809 2/20 0.77

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
Hydrochloric Acid SCHEMBL1920329 0.99 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL1920331 0.99 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL12533602 0.94 MC4R (1.00) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL1921648 0.93 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL3175797 0.93 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL1920100 0.89 MC4R (0.80) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL1920101 0.89 MC4R (0.80) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL12533600 0.88 MC4R (0.80) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL3175753 0.87 MC4R (1.00) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL13525594 0.87 MC4R (1.00) MC4RMC5RMC3RMC1RKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 — — EP disclosed
US-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 — — US disclosed
US-7649002-B2 (3,5-dimethylpiperidin-1yl)(4-phenylpyrrolidin-3-yl)methanone derivatives as MCR4 agonists PFIZER INC (US) 2010-01-19 — — US disclosed