SCHEMBL7439095

SCHEMBL7439095

COC(=O)C(c1ccc(F)cc1)N1CCC(N2CCN(c3ccc(/C(N)=N\O)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.41
NPY2R P49146 3/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM4 P08173 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7439098 1.00 ITGB3 (0.41) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7441963 0.91 KDM4E (0.48) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7441958 0.91 KDM4E (0.48) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7431838 0.90 LDHA (0.42) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7431844 0.90 LDHA (0.42) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7449068 0.90 ITGB3 (0.53) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7436252 0.89 NPY2R (0.49) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7436257 0.89 NPY2R (0.49) ITGB3ITGA2BALOX15NPY2RKDM4E
SCHEMBL7447480 0.89 L3MBTL3 (0.49) ITGB3ITGA2BNPY2RKDM4EALDH1A1
SCHEMBL7447486 0.89 L3MBTL3 (0.49) ITGB3ITGA2BNPY2RKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP claimed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO claimed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed