SCHEMBL7362939

SCHEMBL7362939

O=C(O)CCCCCCNC(=O)N1CCC2(CCNCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.54
ITGA2B P08514 8/20 0.54
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.48
PRMT1 Q99873 1/20 0.42
ADRA1A P35348 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 2/20 0.38
ALOX5 P09917 1/20 0.38
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 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
SCHEMBL7332627 0.84 CYP1A2 (0.49) ITGB3ITGA2BCYP1A2CYP2D6USP2
SCHEMBL23646203 0.80 ITGB3 (0.52) ITGB3ITGA2BPRMT1ADRA1AEPHX2
SCHEMBL23646232 0.80 ITGB3 (0.52) ITGB3ITGA2BPRMT1ADRA1AEPHX2
SCHEMBL23646273 0.80 ITGB3 (0.52) ITGB3ITGA2BPRMT1ADRA1AEPHX2
SCHEMBL23646283 0.80 ITGB3 (0.52) ITGB3ITGA2BPRMT1ADRA1AEPHX2
SCHEMBL23646286 0.76 ITGB3 (0.48) ITGB3ITGA2BPRMT1ADRA1AEPHX2
SCHEMBL23646277 0.76 ITGB3 (0.48) ITGB3ITGA2BPRMT1ADRA1AEPHX2
SCHEMBL23646236 0.76 ITGB3 (0.48) ITGB3ITGA2BPRMT1ADRA1AEPHX2
SCHEMBL23646244 0.74 HTT (0.62) ITGB3ITGA2BPRMT1ADRA1AALDH1A1
SCHEMBL23646274 0.74 HTT (0.62) ITGB3ITGA2BPRMT1ADRA1AALDH1A1

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-5451578-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1995-09-19 US disclosed