SCHEMBL8332841

SCHEMBL8332841

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
GRM5 P41594 15/20 0.39
MAPK13 O15264 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9527675 0.86 METAP2 (0.37) METAP2METAP1GRM5MAPK13TGFBR1
SCHEMBL9524863 0.86 CLK4 (0.40)
SCHEMBL9524349 0.84 CCR1 (0.37) METAP2GRM5TSHR
SCHEMBL8797518 0.83 METAP2 (0.35) METAP2METAP1GRM5MAPK13TGFBR1
SCHEMBL8313790 0.83 TGFBR1 (0.39) METAP2METAP1GRM5MAPK13TGFBR1
SCHEMBL9525005 0.83 GABRA1 (0.38)
SCHEMBL8123176 0.82 GRM5 (0.39) METAP2METAP1GRM5MAPK13TGFBR1
SCHEMBL9527612 0.82 NPC1 (0.44) METAP2METAP1GRM5TGFBR1KDM4E
SCHEMBL9524497 0.82 GRM5 (0.39) GRM5ALDH1A1
SCHEMBL9524965 0.81 ADRA1A (0.39) METAP1GRM5KDM4EHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999001453-A1 A PROCESS FOR THE MANUFACTURE OF OPTICALLY ACTIVE CHROMANYLPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed
EP-0699429-A2 Method of promoting hair growth F. HOFFMANN-LA ROCHE AG (CH) 1996-03-06 EP disclosed
US-5493029-A USEFUL IN TREATING ASTHMA AND HYPERTENSION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-02-20 US disclosed
US-5470861-A Method of promoting hair growth HOFFMANN-LA ROCHE INC. (US) 1995-11-28 US disclosed
US-5300511-A Spiro-benzopyran derivatives and useful for treating asthma and hypertension KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1994-04-05 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
EP-0514942-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 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
CN-1030582-A 1-benzopyran derivatives HOFFMANN LA ROCHE (CH) 1989-01-25 CN 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