SCHEMBL7444975

SCHEMBL7444975

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.42
NPY2R P49146 5/20 0.42
PRCP P42785 1/20 0.40
CHRM4 P08173 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
CCR5 P51681 1/20 0.36

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
SCHEMBL7440141 0.90 CHRM2 (0.46) PANK3NPY2RCHRM4CTSSCTSK
SCHEMBL7442787 0.90 KDM4E (0.48) PANK3NPY2RPRCPCHRM4KDM4E
SCHEMBL7435244 0.90 NPY2R (0.52) PANK3NPY2RCHRM4ALDH1A1MEN1
SCHEMBL7444850 0.89 NPY2R (0.42) PANK3NPY2RCHRM4CTSSCTSK
SCHEMBL7449584 0.88 LDHA (0.44) PANK3NPY2RCHRM4
SCHEMBL7432834 0.87 NPY2R (0.50) PANK3NPY2RCHRM4CTSSCTSK
SCHEMBL7439832 0.85 KDM4E (0.43) PANK3NPY2RCHRM4ALDH1A1MEN1
SCHEMBL7441631 0.85 PANK3 (0.39) PANK3NPY2RCHRM4CTSSCTSK
SCHEMBL7441246 0.85 ITGB3 (0.53) NPY2RCHRM4ALDH1A1MEN1LMNA
SCHEMBL7449550 0.84 ITGB3 (0.42) NPY2RCHRM4ALDH1A1MEN1LMNA

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