SCHEMBL8794852

SCHEMBL8794852

CC1(C)C=C(c2cccnc2)c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
CHRM5 P08912 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
NPY5R Q15761 2/20 0.42
ABL1 P00519 7/20 0.41
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
CBFB Q13951 1/20 0.38
KDR P35968 1/20 0.38
DYRK1A Q13627 1/20 0.38
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL8795574 0.87 HSD17B10 (0.36) CYP11B1CYP11B2MAPTKCNH2
SCHEMBL8795654 0.86 ABL1 (0.46) CHRM5MAPTABL1KCNH2DYRK1A
SCHEMBL8796991 0.86 POLB (0.40) CYP11B1CYP11B2CHRM5POLBMAPT
SCHEMBL8795589 0.81 PDE2A (0.42) CHRM5ABL1KCNH2SCN5A
SCHEMBL8795372 0.81 PSEN1 (0.36) ABL1
SCHEMBL8795627 0.81 CHRM5 (0.44) CHRM5ABL1SCN5A
SCHEMBL8794632 0.80 BACE1 (0.35) CYP11B1CYP11B2KCNH2
SCHEMBL8794656 0.80 TRPA1 (0.47) ABL1SCN5ASCN9A
SCHEMBL8794401 0.80 PSEN1 (0.36) CHRM5ABL1SCN5A
SCHEMBL9381836 0.79 PSEN1 (0.36) ABL1CBFB

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