SCHEMBL8798384

SCHEMBL8798384

CCOC(OCC)C1(C)C=C(c2ccccn2)c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.37
RUNX1 Q01196 1/20 0.37
GRM5 P41594 1/20 0.36
GPR39 O43194 2/20 0.35
SCN9A Q15858 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 1/20 0.32
KCNH2 Q12809 3/20 0.32
SCN1A P35498 1/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SCN8A Q9UQD0 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
SCHEMBL8796995 0.89 CBFB (0.39) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8794576 0.83 CBFB (0.43) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8797308 0.81 FFAR1 (0.35) GRM5KCNH2
SCHEMBL8798213 0.80 MAPT (0.36) GRM5ABL1CYP19A1
SCHEMBL8315603 0.79 CBFB (0.42) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8797575 0.79 ABCB1 (0.34)
SCHEMBL8874508 0.78 CBFB (0.41) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8797621 0.76 BRD4 (0.40)
SCHEMBL9475647 0.72 CBFB (0.43) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8796181 0.72 GRM4 (0.35) CBFBBACE1CYP1A2CYP2D6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514942-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1997-03-05 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-0514942-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed