SCHEMBL14065588

SCHEMBL14065588

CC[C@H](NC[C@H](C)N)c1cc(C)c(C)cc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 15/20 0.65
▸ MC3R P41968 5/20 0.65
▸ MC5R P33032 4/20 0.59
▸ PRCP P42785 5/20 0.55

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
SCHEMBL14065585 0.93 MC4R (0.64) MC4RMC3RMC5RPRCP
SCHEMBL14065587 0.92 MC4R (0.59) MC4RMC3RMC5RPRCP
SCHEMBL14065586 0.91 MC4R (0.67) MC4RMC3RMC5RPRCP
SCHEMBL14065581 0.90 MC4R (0.65) MC4RMC3RMC5RPRCP
SCHEMBL14065621 0.90 MC4R (0.65) MC4RMC3RMC5RPRCP
SCHEMBL4832638 0.89 MC4R (0.74) MC4RMC3RMC5RPRCP
SCHEMBL4844333 0.89 MC4R (0.64) MC4RMC3RMC5RPRCP
Trifluoroacetic Acid SCHEMBL4840684 0.88 MC4R (0.63) MC4RMC3RMC5RPRCP
SCHEMBL14065584 0.88 MC4R (0.62) MC4RMC3RMC5RPRCP
Trifluoroacetic Acid SCHEMBL4832713 0.87 MC4R (0.61) MC4RMC3RMC5RPRCP

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
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 — — US disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 — — US disclosed
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