SCHEMBL21035853

SCHEMBL21035853

C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 20/20 0.61
MC3R P41968 7/20 0.58
MC5R P33032 6/20 0.58
MC1R Q01726 5/20 0.58
KCNH2 Q12809 3/20 0.58

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
SCHEMBL20994255 0.93 MC4R (0.58) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21123989 0.91 MC4R (0.59) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL20994306 0.89 MC4R (0.59) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL28646063 0.85 MC4R (0.63) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21036589 0.81 MC4R (0.55) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21124303 0.81 MC4R (0.54) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL12533628 0.80 MC4R (0.74) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL27392877 0.80 MC4R (0.73) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL21123794 0.80 MC4R (0.57) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL12536388 0.79 MC4R (0.59) MC4RMC3RMC5RMC1RKCNH2

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-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 EP disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 EP disclosed