SCHEMBL14614029

SCHEMBL14614029

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(c1)N(Cc1c(Cl)cccc1CI)CC2CN1CCCC1)C(=O)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 19/20 0.52
▸ F2 P00734 2/20 0.52
▸ TACR2 P21452 1/20 0.37

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
SCHEMBL14583978 0.81 F2R (0.77) F2RF2
SCHEMBL14583987 0.75 F2R (0.55) F2RF2
SCHEMBL4263176 0.72 F2R (0.85) F2RF2
SCHEMBL14614228 0.71 F2R (0.47) F2RF2
SCHEMBL14583974 0.71 F2R (0.53) F2RF2
Rwj-58259 SCHEMBL14090275 0.71 F2R (0.83) F2RF2
SCHEMBL14583980 0.67 F2R (0.57) F2RF2
SCHEMBL14090284 0.66 F2R (0.76) F2RF2
SCHEMBL12340158 0.65 F2R (0.65) F2RF2
SCHEMBL14090282 0.64 F2R (0.74) F2RF2

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
Send feedback