SCHEMBL14583985

SCHEMBL14583985

CNCCNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2ccn(Cc3c(Cl)cccc3Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 14/20 0.52
▸ F2 P00734 2/20 0.46
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CHRM2 P08172 4/20 0.36
▸ CHRM1 P11229 4/20 0.36
▸ CHRM3 P20309 4/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36

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
SCHEMBL14583980 0.80 F2R (0.57) F2RF2PSMB5
SCHEMBL14583983 0.76 F2R (0.82) F2RF2
SCHEMBL14090286 0.70 F2R (0.68) F2RF2
SCHEMBL14583982 0.70 GPR142 (0.45) CTSLCTSS
SCHEMBL14090294 0.69 F2R (0.68) F2RF2
SCHEMBL14090282 0.69 F2R (0.74) F2RF2
SCHEMBL5414423 0.67 TACR2 (0.58) —
SCHEMBL5414433 0.67 TACR2 (0.58) —
SCHEMBL12340165 0.67 F2R (0.49) F2RF2
SCHEMBL14090288 0.64 GRIA1 (0.41) —

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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