SCHEMBL13478170

SCHEMBL13478170

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 9/20 0.54
▸ MC4R P32245 6/20 0.53
▸ MC5R P33032 2/20 0.53
▸ MC3R P41968 2/20 0.53
▸ MC1R Q01726 2/20 0.53
▸ CXCR4 P61073 1/20 0.50
▸ C5AR1 P21730 1/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ OPRK1 P41145 2/20 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 0.96 MC4R (0.55) IL23RMC4RMC5RMC3RMC1R
SCHEMBL13478177 0.96 MC4R (0.55) IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144540 0.95 MC4R (0.53) IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144542 0.94 IL23R (0.54) IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144549 0.93 KISS1R (0.54) IL23RMC4RCXCR4OPRM1OPRK1
SCHEMBL13144631 0.93 MC4R (0.53) IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144378 0.92 IL23R (0.53) IL23RMC4RMC5RMC3RMC1R
SCHEMBL13144534 0.89 OPRM1 (0.61) OPRM1OPRK1
SCHEMBL13144373 0.89 CXCL8 (0.49) IL23RC5AR1
SCHEMBL13145223 0.88 MC4R (0.50) IL23RMC4RMC5RMC3RMC1R

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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