SCHEMBL8796995

SCHEMBL8796995

COC(OC)C1(C)C=C(c2ccccn2)c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.39
RUNX1 Q01196 1/20 0.39
GRM5 P41594 1/20 0.38
GPR39 O43194 2/20 0.35
SCN9A Q15858 2/20 0.34
CHRM1 P11229 1/20 0.33
TACR1 P25103 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
BACE1 P56817 2/20 0.32
CTSD P07339 1/20 0.32
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 1/20 0.32
NR1I2 O75469 1/20 0.31
SCN1A P35498 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
SCHEMBL8798384 0.89 CBFB (0.37) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8794576 0.85 CBFB (0.43) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8797820 0.82 ABL1 (0.41) CHRM1BACE1CTSDCHRM5KCNH2
SCHEMBL8315603 0.81 CBFB (0.42) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8796991 0.81 POLB (0.40) CBFBSCN9ACHRM1CHRM5KCNH2
SCHEMBL8797518 0.80 METAP2 (0.35) GRM5KCNH2
SCHEMBL8797122 0.79 MAPT (0.38) GRM5CES1ABL1
SCHEMBL8874508 0.78 CBFB (0.41) CBFBRUNX1GRM5GPR39SCN9A
SCHEMBL8796821 0.77 HTR6 (0.33) GAA
SCHEMBL9475647 0.75 CBFB (0.43) CBFBRUNX1GRM5GPR39SCN9A

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