SCHEMBL2889142

SCHEMBL2889142

Cc1cc(Cl)nc2cc3c(cc12)OC(C)(C)[C@H](O)[C@H]3OC(=O)NC(Cc1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.36
ABCC9 O60706 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
IDO1 P14902 1/20 0.32
BACE1 P56817 3/20 0.31
CTSD P07339 2/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL2878332 0.83 TAAR1 (0.46) ABCC9TAAR1
SCHEMBL2875832 0.77 ABCC9 (0.37) ABCC9KDM4ECYP3A4CYP2C19HIF1A
SCHEMBL2875833 0.77 ABCC9 (0.37) ABCC9KDM4ECYP3A4CYP2C19HIF1A
SCHEMBL2875733 0.75 TAAR1 (0.36) ABCC9KDM4ECYP3A4CYP2C19HIF1A
SCHEMBL2878735 0.74 ABCB1 (0.53) ABCB1ABCC9KDM4ECYP3A4CYP2C19
SCHEMBL2009405 0.74 ABCB1 (0.53) ABCB1ABCC9KDM4ECYP3A4CYP2C19
SCHEMBL2889144 0.73 ABCB1 (0.43) ABCB1KDM4ECYP3A4CYP2C19HIF1A
SCHEMBL2881077 0.73 ABCB1 (0.43) ABCB1ABCC9KDM4ECYP3A4CYP2C19
SCHEMBL3596079 0.73 ABCB1 (0.43) ABCB1ABCC9KDM4ECYP3A4CYP2C19
SCHEMBL2008331 0.73 ABCB1 (0.43) ABCB1ABCC9KDM4ECYP3A4CYP2C19

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