SCHEMBL9524977

SCHEMBL9524977

CCC1(C)C=C(c2cccc[n+]2[O-])c2cc(C#N)ccc2O1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.58
ABCC8 Q09428 2/20 0.58
KCNJ11 Q14654 2/20 0.58
KCNJ8 Q15842 2/20 0.58
KCNE1 P15382 3/20 0.32
KCNQ1 P51787 3/20 0.32
ABCB1 P08183 3/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
KCND3 Q9UK17 1/20 0.32
OPRD1 P41143 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
SCHEMBL6369348 0.87 ABCC9 (0.62) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL8130002 0.82 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL8311739 0.81 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL9527675 0.76 METAP2 (0.37)
SCHEMBL9475265 0.75 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL8315809 0.74 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8OPRD1
SCHEMBL9525765 0.73 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL9527685 0.72 ABCC9 (0.44) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL9525211 0.70 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8ABCB1
SCHEMBL9525790 0.70 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8

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-0298452-B1 2H-1-BENZOPYRANE DERIVATIVES SUBSTITUTED IN POSITION 4 BY ARYL OR N-HETEROARYL F. HOFFMANN-LA ROCHE AG (CH) 1993-06-30 EP claimed
US-5118694-A Hypotensive agents; treatment for cardiovascular and muscular disorders HOFFMANN-LA ROCHE INC. (US) 1992-06-02 US disclosed
US-4971982-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, SMOOTH MUSCLE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-11-20 US disclosed