SCHEMBL9527675

SCHEMBL9527675

CCC1(C)C=C(c2ccccn2)c2cc(C#N)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
GRM5 P41594 13/20 0.36
FFAR1 O14842 2/20 0.36
MAPK13 O15264 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL8332841 0.86 METAP2 (0.40) METAP2METAP1GRM5MAPK13TGFBR1
SCHEMBL8797518 0.82 METAP2 (0.35) METAP2METAP1GRM5FFAR1MAPK13
SCHEMBL8797308 0.81 FFAR1 (0.35) METAP2METAP1GRM5FFAR1MAPK13
SCHEMBL8123176 0.81 GRM5 (0.39) METAP2METAP1GRM5MAPK13TGFBR1
SCHEMBL8313790 0.80 TGFBR1 (0.39) METAP2METAP1GRM5MAPK13TGFBR1
SCHEMBL9524977 0.76 ABCC9 (0.58)
SCHEMBL9475150 0.74 METAP2 (0.40) METAP2METAP1GRM5FFAR1KDM4E
SCHEMBL8313018 0.73 METAP2 (0.39) METAP2METAP1GRM5MAPK13TGFBR1
SCHEMBL9524863 0.72 CLK4 (0.40)
SCHEMBL9340041 0.72 ABCC9 (0.58) METAP2METAP1GRM5FFAR1TGFBR1

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
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