SCHEMBL14583980

SCHEMBL14583980

CNCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2ccn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 18/20 0.57
▸ F2 P00734 2/20 0.57
▸ KLKB1 P03952 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ F2RL1 P55085 1/20 0.39

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
SCHEMBL14583974 0.91 F2R (0.53) F2RF2F2RL1
SCHEMBL14583985 0.80 F2R (0.52) F2RF2PSMB5
SCHEMBL30589701 0.79 F2R (0.85) F2RF2
SCHEMBL4263176 0.79 F2R (0.85) F2RF2
SCHEMBL12340165 0.78 F2R (0.49) F2RF2KLKB1
Hydrochloric Acid SCHEMBL29439912 0.78 F2R (0.84) F2RF2
Rwj-58259 SCHEMBL14090275 0.76 F2R (0.83) F2RF2F2RL1
SCHEMBL14090282 0.76 F2R (0.74) F2RF2F2RL1
SCHEMBL14583978 0.75 F2R (0.77) F2RF2
SCHEMBL13945250 0.74 F2R (0.44) F2RF2KLKB1

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-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 — — US disclosed
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