SCHEMBL7440141

SCHEMBL7440141

COC(=O)C(c1ccc(OC)cc1)N1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.46
CHRM1 P11229 5/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CHRM4 P08173 4/20 0.43
CHRM3 P20309 2/20 0.43
CHRM5 P08912 1/20 0.43
PANK3 Q9H999 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
NPY2R P49146 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 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
SCHEMBL7442787 0.90 KDM4E (0.48) KDM4ECHRM4PANK3NPY2R
SCHEMBL7444975 0.90 PANK3 (0.42) KDM4EL3MBTL1ALDH1A1CHRM4PANK3
SCHEMBL7435244 0.90 NPY2R (0.52) KDM4ETDP1L3MBTL1ALDH1A1CHRM4
SCHEMBL7444850 0.89 NPY2R (0.42) KDM4EL3MBTL1ALDH1A1CHRM4PANK3
SCHEMBL7449584 0.88 LDHA (0.44) CHRM4PANK3MMP2MMP13NPY2R
SCHEMBL7439832 0.87 KDM4E (0.43) KDM4ETDP1L3MBTL1ALDH1A1CHRM4
SCHEMBL7432834 0.87 NPY2R (0.50) CHRM4PANK3NPY2RCTSSCTSK
SCHEMBL7441631 0.85 PANK3 (0.39) CHRM2CHRM1KDM4EL3MBTL1ALDH1A1
SCHEMBL7446324 0.85 ITGB3 (0.53) CHRM2CHRM1KDM4ETDP1L3MBTL1
SCHEMBL7441958 0.84 KDM4E (0.48) CHRM2CHRM1KDM4ETDP1L3MBTL1

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 2 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 disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed