Sugi Predict

Sugi Predict / Compounds / SCHEMBL12533741

SCHEMBL12533741

SCHEMBL12533741

CC(C)N1C[C@@H](C(=O)N2C[C@@H](C)[C@](O)(c3ccc(F)cc3)[C@@H](C)C2)[C@H](c2ccc(F)cc2F)C1

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 7/20 0.89
▸ MC3R P41968 5/20 0.89
▸ MC1R Q01726 4/20 0.89
▸ KCNH2 Q12809 2/20 0.73

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 SCHEMBL1921024 0.99 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL1921026 0.99 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL12533614 0.94 MC4R (1.00) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL13525573 0.94 MC4R (1.00) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL1920927 0.94 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL1920926 0.94 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
SCHEMBL12533663 0.93 MC4R (1.00) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL1920663 0.93 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL1920664 0.93 MC4R (0.98) MC4RMC5RMC3RMC1RKCNH2
Hydrochloric Acid SCHEMBL1920678 0.93 MC4R (0.98) 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