SCHEMBL8967989

SCHEMBL8967989

CC1(C)CC(c2ccccn2)c2cc(C#N)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.43
ABCB1 P08183 10/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8338287 1.00 ABCC9 (0.43) ABCC9ABCB1SIRT2KDM4E
SCHEMBL9524801 0.87 ABCC9 (0.45) ABCC9ABCB1SIRT2
SCHEMBL9525644 0.85 ABCC9 (0.40) ABCC9ABCB1SIRT2KDM4E
SCHEMBL9525853 0.84 ABCC9 (0.43) ABCC9
SCHEMBL9525659 0.84 ABCC9 (0.44) ABCC9ABCB1
SCHEMBL9524618 0.83 ABCB1 (0.41) ABCC9ABCB1SIRT2KDM4E
SCHEMBL9524374 0.82 HTR2B (0.35)
SCHEMBL9525760 0.82 TRPM5 (0.42) SIRT2
SCHEMBL9525156 0.82 ABCB1 (0.38) ABCC9ABCB1SIRT2KDM4E
SCHEMBL9524383 0.82 ABCC9 (0.43) ABCC9ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699429-A2 Method of promoting hair growth F. HOFFMANN-LA ROCHE AG (CH) 1996-03-06 EP disclosed
US-5470861-A Method of promoting hair growth HOFFMANN-LA ROCHE INC. (US) 1995-11-28 US disclosed
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 disclosed
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
EP-0298452-A2 2H-1-benzopyrane derivatives substituted in position 4 by aryl or N-heteroaryl F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed