SCHEMBL289158

SCHEMBL289158

N=C(N)c1ccc(CCCCC(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.74
ITGA2B P08514 7/20 0.74
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HSD17B10 Q99714 1/20 0.57
F2 P00734 2/20 0.53
PRSS1 P07477 2/20 0.53
PLG P00747 1/20 0.53
PRSS2 P07478 1/20 0.53
C1S P09871 1/20 0.53
PRSS3 P35030 1/20 0.53
ST14 Q9Y5Y6 1/20 0.53
F10 P00742 2/20 0.53
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL8186382 0.98 ITGB3 (0.72) ITGB3ITGA2BMAPTRXFP1HSD17B10
SCHEMBL7118598 0.87 ITGB3 (0.74) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL7379988 0.87 ITGB3 (0.88) ITGB3ITGA2BST14
SCHEMBL7389300 0.85 ITGB3 (1.00) ITGB3ITGA2BST14
SCHEMBL7065645 0.83 MAPT (0.79) MAPTRXFP1HSD17B10HDAC3MAPK1
SCHEMBL7385808 0.82 ITGB3 (0.76) ITGB3ITGA2BST14
SCHEMBL13131603 0.82 MAPT (0.66) ITGB3ITGA2BMAPTRXFP1HSD17B10
SCHEMBL9671779 0.81 MAPT (0.83) MAPTRXFP1HSD17B10HDAC3MAPK1
SCHEMBL3814880 0.81 MAPT (0.83) MAPTRXFP1HSD17B10HDAC3MAPK1
SCHEMBL288751 0.81 F10 (0.56) ITGB3ITGA2BMAPTRXFP1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427476-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY Polyphor Ag (CH) 2012-03-14 EP disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 WO disclosed
US-5543425-A ANTIAGGLOMERANTS G. D. SEARLE & CO. (US) 1996-08-06 US disclosed
US-5441974-A Phenyl amidines lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-08-15 US disclosed
US-5409939-A Phenyl amidine thio derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-04-25 US disclosed
WO-1994018162-A1 PHENYL AMIDINE THIO DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-08-18 WO disclosed
US-5264457-A Phenyl amidines sulfonamides useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-11-23 US disclosed
WO-1993016038-A1 PHENYL AMIDINES SULFONAMIDES USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-08-19 WO disclosed
WO-1993012103-A1 PHENYL AMIDINES LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO disclosed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed