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Sugi Predict / Compounds / SCHEMBL21037192

SCHEMBL21037192

SCHEMBL21037192

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

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 19/20 0.61
▸ MC3R P41968 9/20 0.58
▸ MC1R Q01726 8/20 0.58
▸ MC5R P33032 8/20 0.58
▸ KCNH2 Q12809 3/20 0.57
▸ PRCP P42785 1/20 0.56

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
SCHEMBL21124305 0.90 MC4R (0.58) MC4RMC3RMC1RMC5RKCNH2
SCHEMBL21037176 0.86 MC4R (0.60) MC4RMC3RMC1RMC5RPRCP
SCHEMBL21124106 0.85 MC4R (0.55) MC4RMC3RMC1RMC5RKCNH2
Hydrochloric Acid SCHEMBL20994239 0.85 MC4R (0.54) MC4RMC3RMC1RMC5RKCNH2
Hydrochloric Acid SCHEMBL20994242 0.85 MC4R (0.54) MC4RMC3RMC1RMC5RKCNH2
SCHEMBL21035850 0.84 MC4R (0.67) MC4RMC3RMC1RMC5RKCNH2
SCHEMBL21036522 0.84 MC4R (0.69) MC4RMC3RMC1RMC5RKCNH2
SCHEMBL21036744 0.84 MC4R (0.58) MC4RMC3RMC1RMC5RKCNH2
SCHEMBL27392877 0.83 MC4R (0.73) MC4RMC3RMC1RMC5RKCNH2
SCHEMBL4577060 0.82 MC4R (0.71) MC4RMC3RMC1RMC5RKCNH2

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