SCHEMBL21036084

SCHEMBL21036084

CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 19/20 0.65
MC3R P41968 7/20 0.60
MC5R P33032 6/20 0.60
MC1R Q01726 6/20 0.60
PRCP P42785 1/20 0.52

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
SCHEMBL19806322 0.99 MC4R (0.67) MC4RMC3RMC5RMC1RPRCP
SCHEMBL21123794 0.91 MC4R (0.57) MC4RMC3RMC5RMC1R
SCHEMBL20994302 0.90 MC4R (0.58) MC4RMC3RMC5RMC1R
SCHEMBL20994297 0.90 MC4R (0.58) MC4RMC3RMC5RMC1R
SCHEMBL21036763 0.90 MC4R (0.67) MC4RMC3RMC5RMC1RPRCP
SCHEMBL23471480 0.89 MC4R (0.68) MC4RMC3RMC5RMC1RPRCP
SCHEMBL21035888 0.88 MC4R (0.66) MC4RMC3RMC5RMC1RPRCP
SCHEMBL21036744 0.86 MC4R (0.58) MC4RMC3RMC5RMC1R
SCHEMBL21035850 0.84 MC4R (0.67) MC4RMC3RMC5RMC1RPRCP
SCHEMBL21036522 0.83 MC4R (0.69) MC4RMC3RMC5RMC1RPRCP

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