SCHEMBL14090288

SCHEMBL14090288

CNCCNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](N)Cc1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 2/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ NAMPT P43490 1/20 0.39
▸ OPRD1 P41143 4/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PLG P00747 3/20 0.38
▸ PLAU P00749 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ CHRND Q07001 5/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ GPR142 Q7Z601 1/20 0.38

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
SCHEMBL14114981 0.91 GRIA1 (0.46) GRIA1MMP2MMP9MMP8NAMPT
SCHEMBL14583982 0.88 GPR142 (0.45) GRIA1MMP2MMP9MMP8OPRD1
SCHEMBL14090290 0.80 ALDH1A1 (0.45) GPR142
SCHEMBL14583981 0.76 KLKB1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL20541056 0.74 MME (0.50) —
SCHEMBL20540754 0.74 MME (0.52) OPRD1OPRM1OPRK1
SCHEMBL22503596 0.74 MME (0.52) OPRD1OPRM1OPRK1
SCHEMBL22503735 0.74 MME (0.50) —
SCHEMBL22503598 0.74 MME (0.50) —
SCHEMBL22503737 0.74 MME (0.52) OPRD1OPRM1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417030-B2 Indazole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-08-26 — — US disclosed
US-7183252-B2 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-02-27 — — US disclosed
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