SCHEMBL14614228

SCHEMBL14614228

NCCNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)c1ccc2c(c1)N(Cc1c(Cl)cccc1Cl)CC2CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 14/20 0.47
▸ F2 P00734 2/20 0.46
▸ KLKB1 P03952 2/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.35
▸ GRIA1 P42261 2/20 0.35
▸ PLG P00747 1/20 0.34

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
SCHEMBL14583992 0.81 F2R (0.67) F2RF2
SCHEMBL14090294 0.73 F2R (0.68) F2RF2
SCHEMBL14614029 0.71 F2R (0.52) F2RF2
SCHEMBL14583983 0.68 F2R (0.82) F2RF2
SCHEMBL14090286 0.68 F2R (0.68) F2RF2
SCHEMBL14114981 0.68 GRIA1 (0.46) KLKB1GRIA1PLG
Rwj-58259 SCHEMBL14090275 0.62 F2R (0.83) F2RF2
SCHEMBL4263176 0.61 F2R (0.85) F2RF2
SCHEMBL14090288 0.61 GRIA1 (0.41) GRIA1PLG
SCHEMBL20873706 0.61 KLKB1 (0.77) KLKB1

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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