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Sugi Predict / Compounds / SCHEMBL28641978

SCHEMBL28641978

SCHEMBL28641978

C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)[C@@H](C)CN1C(=O)[C@H](CC(C)(C)C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 20/20 0.53
▸ MC1R Q01726 5/20 0.49
▸ MC3R P41968 6/20 0.49
▸ MC5R P33032 5/20 0.49
▸ KCNH2 Q12809 3/20 0.49

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
SCHEMBL28641981 1.00 MC4R (0.53) MC4RMC1RMC3RMC5RKCNH2
SCHEMBL21124106 0.85 MC4R (0.55) MC4RMC1RMC3RMC5RKCNH2
Hydrochloric Acid SCHEMBL20994242 0.84 MC4R (0.54) MC4RMC1RMC3RMC5RKCNH2
Hydrochloric Acid SCHEMBL20994239 0.84 MC4R (0.54) MC4RMC1RMC3RMC5RKCNH2
SCHEMBL20994251 0.82 MC4R (0.52) MC4RMC1RMC3RMC5RKCNH2
SCHEMBL20994254 0.82 MC4R (0.52) MC4RMC1RMC3RMC5RKCNH2
SCHEMBL28632776 0.81 MC4R (0.61) MC4RMC1RMC3RMC5RKCNH2
Hydrochloric Acid SCHEMBL21084252 0.81 MC4R (0.52) MC4RMC1RMC3RMC5RKCNH2
Hydrochloric Acid SCHEMBL21084253 0.81 MC4R (0.52) MC4RMC1RMC3RMC5RKCNH2
SCHEMBL20994273 0.80 MC4R (0.51) MC4RMC1RMC3RMC5RKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563074-B Piperazine derivatives 安斯泰来制药株式会社 2021-09-28 — — CN disclosed