SCHEMBL8991217

SCHEMBL8991217

CCCCC1(c2ccc(C=NN)cc2)C(=O)OCCC1c1cccnc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2A6 P11509 1/20 0.31
SLC10A2 Q12908 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL8991380 0.89 KDM1A (0.35)
SCHEMBL7495764 0.86 NPSR1 (0.37) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL8991007 0.80
SCHEMBL8991282 0.79
SCHEMBL8991174 0.77 CYP19A1 (0.30)
SCHEMBL7497849 0.75 KDM1A (0.38) POLBMEN1LMNAKMT2AALDH1A1
SCHEMBL8991475 0.67 CYP19A1 (0.39)
SCHEMBL7499785 0.64 OPRM1 (0.36) NPSR1CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL7498327 0.63 OPRM1 (0.35) POLBNPSR1MEN1KMT2ACYP1A2
SCHEMBL8991195 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504106-A Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-04-02 US disclosed