SCHEMBL9478570

SCHEMBL9478570

CC1(C)N=C(c2cccc[n+]2[O-])c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
CHRM1 P11229 1/20 0.33
BACE1 P56817 1/20 0.31
CES1 P23141 1/20 0.30
PRCP P42785 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL9475710 0.84 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8CHRM1
SCHEMBL9475069 0.82 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475563 0.80 CHRM1 (0.31) ABCC9ABCC8KCNJ11KCNJ8CHRM1
SCHEMBL9475319 0.80 ABCC9 (0.31) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8796317 0.80 ABCC9 (0.42) GPR3ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476803 0.79 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9477112 0.78 ALOX5 (0.39) ABL1
SCHEMBL9476478 0.77 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475647 0.77 CBFB (0.43) GPR3CHRM1BACE1CES1ABL1
SCHEMBL9476372 0.77 L3MBTL1 (0.36) GPR3CHRM1CES1

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

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