SCHEMBL7441963

SCHEMBL7441963

COC(=O)C(c1ccc(OC)cc1)N1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ALOX15 P16050 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CHRM4 P08173 1/20 0.40
NPY2R P49146 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL7441958 1.00 KDM4E (0.48) KDM4ECHRM2CHRM1TDP1ALDH1A1
SCHEMBL7439098 0.91 ITGB3 (0.41) KDM4ECHRM2CHRM1TDP1ALDH1A1
SCHEMBL7439095 0.91 ITGB3 (0.41) KDM4ECHRM2CHRM1TDP1ALDH1A1
SCHEMBL7446324 0.90 ITGB3 (0.53) KDM4ECHRM2CHRM1TDP1ALDH1A1
SCHEMBL7436252 0.89 NPY2R (0.49) KDM4ETDP1ALDH1A1L3MBTL1ITGB3
SCHEMBL7436257 0.89 NPY2R (0.49) KDM4ETDP1ALDH1A1L3MBTL1ITGB3
SCHEMBL7447480 0.89 L3MBTL3 (0.49) KDM4ETDP1ALDH1A1L3MBTL1ITGB3
SCHEMBL7431838 0.89 LDHA (0.42) KDM4EALDH1A1ITGB3ITGA2BALOX15
SCHEMBL7431844 0.89 LDHA (0.42) KDM4EALDH1A1ITGB3ITGA2BALOX15
SCHEMBL7447486 0.89 L3MBTL3 (0.49) KDM4ETDP1ALDH1A1L3MBTL1ITGB3

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