SCHEMBL2887474

SCHEMBL2887474

Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)[C@H](O)[C@H]3NCCc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ABCC9 O60706 5/20 0.34
KCNA5 P22460 5/20 0.34
ABCB1 P08183 3/20 0.34
TAAR1 Q96RJ0 1/20 0.31
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2007181 1.00 KDM4E (0.36) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2878901 0.93 ABCC9 (0.39) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2008357 0.93 ABCC9 (0.39) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2009715 0.91 CYP3A4 (0.36) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL3595204 0.91 CYP3A4 (0.36) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2008331 0.91 ABCB1 (0.43) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2008329 0.91 ABCB1 (0.43) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL3596079 0.91 ABCB1 (0.43) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2881077 0.91 ABCB1 (0.43) KDM4ECYP3A4CYP2C19HIF1AABCC9
SCHEMBL2878169 0.90 ABCC9 (0.35) KDM4ECYP3A4CYP2C19HIF1AABCC9

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-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed