SCHEMBL28749751

SCHEMBL28749751

[CH2]CC(F)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
OPRM1 P35372 1/20 0.43
KCNH2 Q12809 1/20 0.43
TAAR1 Q96RJ0 4/20 0.43
SLC6A2 P23975 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GRIN2B Q13224 1/20 0.42
CYP1A2 P05177 1/20 0.41
SLC18A2 Q05940 1/20 0.40
ANPEP P15144 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL30657566 0.85 EPHX1 (0.55) EPHX1OPRM1KCNH2TAAR1SLC6A2
SCHEMBL11615146 0.82 KCNH2 (0.49) EPHX1OPRM1KCNH2TAAR1SLC6A2
SCHEMBL1665737 0.78 EPHX1 (0.48) EPHX1OPRM1KCNH2TAAR1SLC6A2
SCHEMBL8778520 0.76 EPHX1 (0.73) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL21677972 0.76 TRPA1 (0.50) EPHX1OPRM1KCNH2TAAR1SLC6A2
SCHEMBL4679591 0.76 EPHX1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL22660956 0.76 EPHX1 (0.46) EPHX1OPRM1KCNH2TAAR1SLC6A2
SCHEMBL5001745 0.76 EPHX1 (0.52) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5597661 0.76 TRPA1 (0.54) EPHX1OPRM1KCNH2TAAR1SLC6A2
SCHEMBL5597658 0.76 TRPA1 (0.54) EPHX1OPRM1KCNH2TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1499972-A Imidazolyl derivatives as corticotropin releasing factor inhibitors ����˹�ж�-����˹˹������˾ 2004-05-26 CN disclosed