SCHEMBL7435244

SCHEMBL7435244

COC(=O)C(c1ccccc1)N1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 5/20 0.52
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM4 P08173 1/20 0.47
KDM4E B2RXH2 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR5 P51681 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
EP300 Q09472 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
PANK3 Q9H999 1/20 0.41
POLB P06746 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
SCHEMBL7444975 0.90 PANK3 (0.42) NPY2RALDH1A1MEN1LMNAKMT2A
SCHEMBL7440141 0.90 CHRM2 (0.46) NPY2RALDH1A1MEN1KMT2ACHRM4
SCHEMBL7442787 0.90 KDM4E (0.48) NPY2RCHRM4KDM4ESLC1A2PANK3
SCHEMBL7439832 0.89 KDM4E (0.43) NPY2RALDH1A1MEN1KMT2ACHRM4
SCHEMBL7545363 0.89 NPY2R (0.54) NPY2RALDH1A1MEN1LMNAKMT2A
SCHEMBL7444850 0.89 NPY2R (0.42) NPY2RALDH1A1MEN1LMNAKMT2A
SCHEMBL7449584 0.88 LDHA (0.44) NPY2RCHRM4PANK3
SCHEMBL7444330 0.87 KDM4E (0.48) NPY2RALDH1A1KDM4EL3MBTL1CYP2C9
SCHEMBL7432834 0.87 NPY2R (0.50) NPY2RCHRM4PANK3
SCHEMBL7441631 0.87 PANK3 (0.39) NPY2RALDH1A1CHRM4KDM4EL3MBTL1

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