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SCHEMBL15039673

SCHEMBL15039673

COC(=O)N1CCN(C(=O)[C@@H]2CN(c3ccc(=O)n(C)n3)C[C@H]2c2ccc(F)cc2F)CCC[C@H]1c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 15/20 0.44
▸ MC3R P41968 6/20 0.39
▸ MC5R P33032 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ NTRK1 P04629 2/20 0.37
▸ MC1R Q01726 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PRCP P42785 2/20 0.36

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
SCHEMBL13493146 0.93 MC4R (0.44) MC4RMC3RMC5RKCNH2NTRK1
SCHEMBL12536508 0.93 MC4R (0.44) MC4RMC3RMC5RKCNH2NTRK1
SCHEMBL1919620 0.93 MC4R (0.44) MC4RMC3RMC5RKCNH2NTRK1
SCHEMBL12536408 0.93 MC4R (0.44) MC4RMC3RMC5RKCNH2NTRK1
SCHEMBL12536731 0.86 MC4R (0.40) MC4RMC3RMC5RNTRK1PRCP
SCHEMBL1919873 0.86 MC4R (0.40) MC4RMC3RMC5RNTRK1PRCP
SCHEMBL1919871 0.86 MC4R (0.40) MC4RMC3RMC5RNTRK1PRCP
SCHEMBL12536723 0.86 MC4R (0.40) MC4RMC3RMC5RNTRK1PRCP
SCHEMBL1919618 0.85 MC4R (0.44) MC4RMC3RMC5RKCNH2MC1R
SCHEMBL12536329 0.85 MC4R (0.45) MC4RMC3RMC5RKCNH2PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326638-B9 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-11-13 — — EP disclosed
EP-2326638-B1 DIAZEPINE AND DIAZOCANE COMPOUNDS AS MC4 AGONISTS PFIZER LTD (GB) 2013-06-19 — — EP disclosed