SCHEMBL8794576

SCHEMBL8794576

CC1(C)C=C(c2ccccn2)c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.43
RUNX1 Q01196 1/20 0.43
GRM5 P41594 1/20 0.42
GPR39 O43194 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SCN9A Q15858 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
CHRM5 P08912 1/20 0.34
ABL1 P00519 4/20 0.33
IDO1 P14902 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GPR3 P46089 1/20 0.33
SLC40A1 Q9NP59 1/20 0.32
CHRM1 P11229 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
SCHEMBL8796181 0.86 GRM4 (0.35) CBFB
SCHEMBL8796995 0.85 CBFB (0.39) CBFBRUNX1GRM5GPR39PSEN1
SCHEMBL8315603 0.84 CBFB (0.42) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8874508 0.84 CBFB (0.41) CBFBRUNX1GRM5GPR39PSEN1
SCHEMBL8798384 0.83 CBFB (0.37) CBFBRUNX1GRM5GPR39PSEN1
SCHEMBL9523928 0.82 CBFB (0.40) CBFBGRM5PSEN1PSEN2APH1B
SCHEMBL8795032 0.82 PSEN1 (0.36) CBFBRUNX1PSEN1PSEN2APH1B
SCHEMBL9381836 0.82 PSEN1 (0.36) CBFBRUNX1PSEN1PSEN2APH1B
SCHEMBL9524858 0.81 MAPT (0.37)
SCHEMBL8795654 0.80 ABL1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
US-5493029-A USEFUL IN TREATING ASTHMA AND HYPERTENSION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-20 US disclosed
US-5300511-A Spiro-benzopyran derivatives and useful for treating asthma and hypertension KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-04-05 US disclosed
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed
EP-0514942-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed