SCHEMBL8664194

SCHEMBL8664194

CN(C(=O)c1ccc(N2CCNCC2)cc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
MAPKAPK2 P49137 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
MAPT P10636 3/20 0.42
ENPP2 Q13822 1/20 0.42
LTA4H P09960 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL24670541 0.86 MAPKAPK2 (0.57) MAPKAPK2ALDH1A1HSD17B10USP2TSHR
SCHEMBL12814351 0.84 ITGB3 (0.62) ITGB3ITGA2BALDH1A1HSD17B10USP2
SCHEMBL8663767 0.81 MAPT (0.50) ITGB3ITGA2BALDH1A1TSHRMAPT
SCHEMBL8662466 0.80 MAPT (0.61) ITGB3ITGA2BMAPKAPK2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL9409454 0.79 MAPT (0.60) ITGB3ITGA2BMAPKAPK2ALDH1A1HSD17B10
SCHEMBL8325106 0.78 ITGB3 (0.55) ITGB3ITGA2BALDH1A1HSD17B10USP2
SCHEMBL8662762 0.77 ITGB3 (0.54) ITGB3ITGA2BALDH1A1HSD17B10USP2
SCHEMBL8662766 0.77 ITGB3 (0.54) ITGB3ITGA2BALDH1A1HSD17B10USP2
Hydrochloric Acid SCHEMBL8590243 0.77 OGA (0.36) ITGB3ITGA2BMAPKAPK2ALDH1A1NR4A1
SCHEMBL14922265 0.75 ADRB1 (0.57) ITGB3ITGA2BALDH1A1HSD17B10USP2

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-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed