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SCHEMBL4742587

SCHEMBL4742587

C[C@@H]1CN(C(=O)[C@H](N)Cc2ccc(F)cc2F)[C@@H](CCCO)CN1C(=O)[C@H](N)Cc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 17/20 0.47
▸ MC3R P41968 15/20 0.47
▸ MC1R Q01726 14/20 0.47
▸ DPP4 P27487 2/20 0.45
▸ FAP Q12884 1/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ DPP7 Q9UHL4 1/20 0.45

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
SCHEMBL4742590 1.00 MC4R (0.47) MC4RMC3RMC1RDPP4FAP
SCHEMBL4738864 0.92 MC3R (0.53) MC4RMC3RMC1RDPP4FAP
SCHEMBL4738855 0.92 MC3R (0.53) MC4RMC3RMC1RDPP4FAP
SCHEMBL4738849 0.92 MC3R (0.53) MC4RMC3RMC1RDPP4FAP
SCHEMBL4738854 0.87 MC3R (0.49) MC4RMC3RMC1RDPP4
SCHEMBL4738848 0.87 MC3R (0.49) MC4RMC3RMC1RDPP4
SCHEMBL4785499 0.83 MC3R (0.50) MC4RMC3RMC1RDPP4
SCHEMBL4785506 0.83 MC3R (0.50) MC4RMC3RMC1RDPP4
SCHEMBL4785504 0.83 MC3R (0.50) MC4RMC3RMC1RDPP4
SCHEMBL1748661 0.81 MC4R (0.47) MC4RMC3RMC1RDPP4

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
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 — — WO disclosed
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 — — WO disclosed