SCHEMBL9475647

SCHEMBL9475647

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.43
RUNX1 Q01196 1/20 0.43
GRM5 P41594 2/20 0.42
GPR39 O43194 2/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CHRM1 P11229 1/20 0.36
GPR3 P46089 2/20 0.35
SCN9A Q15858 1/20 0.35
CES1 P23141 1/20 0.34
CHRM5 P08912 1/20 0.34
BACE1 P56817 2/20 0.34
ABL1 P00519 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL9475451 0.82 CBFB (0.40) CBFBGRM5CHRM1MEN1KMT2A
SCHEMBL8794576 0.80 CBFB (0.43) CBFBRUNX1GRM5GPR39HCRTR1
SCHEMBL9476499 0.78 ADRA1A (0.47) GRM5CHRM1BACE1CTSD
SCHEMBL9475857 0.78 KDM4E (0.36) CHRM1KMT2A
SCHEMBL9475729 0.77 KDM4E (0.39) GRM5CHRM1
SCHEMBL9478570 0.77 GPR3 (0.33) CHRM1GPR3CES1BACE1ABL1
SCHEMBL8874508 0.77 CBFB (0.41) CBFBRUNX1GRM5GPR39HCRTR1
SCHEMBL9475576 0.76 GRM5 (0.42) GRM5KMT2A
SCHEMBL27344045 0.76 TP53 (0.33) BACE1CTSD
SCHEMBL9476263 0.75 KDM4E (0.34) BACE1MEN1KMT2ACTSD

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
CN-1060467-A 1,3-benzoxazine derivatives, its production method and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-04-22 CN claimed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
CN-1060467-A 1,3-benzoxazine derivatives, its production method and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-04-22 CN disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed