SCHEMBL13478177

SCHEMBL13478177

CN[C@H](Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NCCCC(NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC1C=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 7/20 0.55
▸ IL23R Q5VWK5 1/20 0.51
▸ MC5R P33032 2/20 0.50
▸ MC3R P41968 2/20 0.50
▸ MC1R Q01726 2/20 0.50
▸ CXCL8 P10145 5/20 0.50
▸ KISS1R Q969F8 3/20 0.50

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
SCHEMBL13144545 1.00 MC4R (0.55) MC4RIL23RMC5RMC3RMC1R
SCHEMBL13144540 0.96 MC4R (0.53) MC4RIL23RMC5RMC3RMC1R
SCHEMBL13144549 0.96 KISS1R (0.54) MC4RIL23RCXCL8KISS1R
SCHEMBL13144542 0.96 IL23R (0.54) MC4RIL23RMC5RMC3RMC1R
SCHEMBL13478170 0.96 IL23R (0.54) MC4RIL23RMC5RMC3RMC1R
SCHEMBL13144631 0.96 MC4R (0.53) MC4RIL23RMC5RMC3RMC1R
SCHEMBL13144378 0.95 IL23R (0.53) MC4RIL23RMC5RMC3RMC1R
SCHEMBL13144883 0.91 OPRM1 (0.51) —
SCHEMBL13145223 0.91 MC4R (0.50) MC4RIL23RMC5RMC3RMC1R
SCHEMBL13478161 0.90 OPRM1 (0.48) MC4R

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
US-7659246-B2 Treatment of osteoarthritis PROMICS PTY LIMITED (AU) 2010-02-09 — — US disclosed
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