SCHEMBL21036499

SCHEMBL21036499

CC(C)(C)N1C[C@@H](C(=O)N2CCNCC2)[C@H](c2ccc(F)cc2F)C1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC4R P32245 17/20 0.69
PRCP P42785 3/20 0.65
MC3R P41968 7/20 0.64
MC5R P33032 6/20 0.64
MC1R Q01726 5/20 0.64
KCNH2 Q12809 3/20 0.64

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
SCHEMBL19806263 0.91 MC4R (0.64) MC4RPRCPMC3RMC5RMC1R
SCHEMBL27392877 0.90 MC4R (0.73) MC4RPRCPMC3RMC5RMC1R
SCHEMBL23471365 0.89 MC4R (0.56) MC4RPRCPMC3RMC5RMC1R
SCHEMBL4577067 0.89 MC4R (0.71) MC4RPRCPMC3RMC5RMC1R
SCHEMBL4577060 0.89 MC4R (0.71) MC4RPRCPMC3RMC5RMC1R
SCHEMBL12536972 0.88 PRCP (0.64) MC4RPRCPMC3RMC5RMC1R
SCHEMBL20994322 0.85 MC4R (0.57) MC4RPRCPMC3RMC5RMC1R
Hydrochloric Acid SCHEMBL20994232 0.84 MC4R (0.58) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL12533628 0.83 MC4R (0.74) MC4RMC3RMC5RMC1RKCNH2
SCHEMBL27393889 0.82 PRCP (0.52) MC4RPRCP

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