SCHEMBL9525755

SCHEMBL9525755

CC1(C)CC(c2cncc[n+]2[O-])c2cc(C#N)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.40
ABCB1 P08183 10/20 0.39
KDM4E B2RXH2 1/20 0.35
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9524591 0.84 ABCB1 (0.39) ABCC9ABCB1KDM4EABCC8KCNJ11
SCHEMBL8174728 0.84 ABCB1 (0.40) ABCC9ABCB1KDM4EABCC8KCNJ11
SCHEMBL9523798 0.84 ABCB1 (0.40) ABCC9ABCB1KDM4EABCC8KCNJ11
SCHEMBL8174878 0.84 ABCB1 (0.40) ABCC9ABCB1KDM4EABCC8KCNJ11
SCHEMBL8174399 0.84 ABCB1 (0.40) ABCC9ABCB1KDM4EABCC8KCNJ11
SCHEMBL9525034 0.83 ABCC9 (0.40) ABCC9ABCB1
SCHEMBL9525999 0.81 ABCB1 (0.39) ABCC9ABCB1KDM4EABCC8KCNJ11
SCHEMBL9525745 0.79 ABCB1 (0.39) ABCC9ABCB1KDM4E
SCHEMBL9525021 0.79 ABCB1 (0.40) ABCC9ABCB1KDM4EABCC8KCNJ11
SCHEMBL9524573 0.78 ABCC9 (0.42) ABCC9ABCB1KDM4EABCC8KCNJ11

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