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Sugi Predict / Compounds / SCHEMBL12533652

SCHEMBL12533652

SCHEMBL12533652

C[C@@H]1CN(C(=O)[C@@H]2CN(c3cccnn3)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccccc1

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 10/20 1.00
▸ MC5R P33032 4/20 0.81
▸ KCNH2 Q12809 3/20 0.81
▸ MC1R Q01726 5/20 0.81

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
SCHEMBL27395748 1.00 MC4R (1.00) MC4RMC3RMC5RKCNH2MC1R
Hydrochloric Acid SCHEMBL1920900 0.99 MC4R (0.98) MC4RMC3RMC5RKCNH2MC1R
Hydrochloric Acid SCHEMBL1920899 0.99 MC4R (0.98) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL13525662 0.90 MC4R (1.00) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL12533825 0.90 MC4R (1.00) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL13525759 0.90 MC4R (1.00) MC4RMC3RMC5RKCNH2MC1R
Hydrochloric Acid SCHEMBL1920203 0.89 MC4R (0.98) MC4RMC3RMC5RKCNH2MC1R
Hydrochloric Acid SCHEMBL1920202 0.89 MC4R (0.98) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL4614000 0.89 MC4R (0.80) MC4RMC3RMC5RKCNH2MC1R
Hydrochloric Acid SCHEMBL1920898 0.89 MC4R (0.98) MC4RMC3RMC5RKCNH2MC1R

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