SCHEMBL2887311

SCHEMBL2887311

CC1(C)Oc2cc3nccnc3cc2C(NCCc2ccccc2F)C1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.39
KCNA5 P22460 5/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PAX8 Q06710 1/20 0.32
KLF5 Q13887 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MPO P05164 1/20 0.32

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
SCHEMBL12580619 1.00 ABCB1 (0.39) ABCB1KCNA5TAAR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL2888939 0.99 ABCB1 (0.38) ABCB1KCNA5TAAR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL2888940 0.99 ABCB1 (0.38) ABCB1KCNA5TAAR1CHRM2CHRM1
SCHEMBL2007669 0.85 ABCB1 (0.48) ABCB1KCNA5
SCHEMBL2888894 0.85 ABCB1 (0.48) ABCB1KCNA5
SCHEMBL2888796 0.84 ABCB1 (0.41) ABCB1KCNA5TAAR1CHRM2CHRM1
SCHEMBL2875861 0.84 ABCB1 (0.41) ABCB1KCNA5TAAR1CHRM2CHRM1
SCHEMBL2888729 0.83 NPC1 (0.42) ABCB1KCNA5TAAR1NPC1RAB9A
SCHEMBL2888730 0.83 NPC1 (0.42) ABCB1KCNA5TAAR1NPC1RAB9A
Hydrochloric Acid SCHEMBL2883776 0.82 NPC1 (0.41) ABCB1KCNA5TAAR1NPC1RAB9A

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 claimed