SCHEMBL27447396

SCHEMBL27447396

CCCCC(F)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
OPRM1 P35372 1/20 0.46
KCNH2 Q12809 1/20 0.46
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 5/20 0.43
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41
BDKRB2 P30411 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL27362554 0.92 CSNK1E (0.57) CSNK1EOPRM1KCNH2CNR2
SCHEMBL9343398 0.82 CSNK1E (0.46) CSNK1ECNR2SIGMAR1SLC6A2TAAR1
SCHEMBL16933867 0.82 KCNH2 (0.47) OPRM1KCNH2SIGMAR1SLC6A2TAAR1
SCHEMBL16933758 0.80 KCNH2 (0.46) CSNK1EOPRM1KCNH2SIGMAR1SLC6A2
SCHEMBL7147691 0.79 CSNK1E (0.50) CSNK1ECNR2SIGMAR1SLC6A2TAAR1
SCHEMBL15562699 0.79 CSNK1E (0.50) CSNK1ECNR2SIGMAR1SLC6A2TAAR1
SCHEMBL21677972 0.79 TRPA1 (0.50) OPRM1KCNH2SIGMAR1SLC6A2TAAR1
SCHEMBL16933720 0.78 KCNH2 (0.45) CSNK1EOPRM1KCNH2SIGMAR1SLC6A2
SCHEMBL30657566 0.78 EPHX1 (0.55) OPRM1KCNH2SIGMAR1SLC6A2TAAR1
SCHEMBL6824286 0.78 CSNK1E (0.49) CSNK1ECNR2SIGMAR1SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058963-C Triazole derivative, insecticidal/acaricidal agent, and process for producing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-11-29 CN disclosed
CN-1105179-A Triazole derivative, insecticidal/acaricidal agent, and process for producing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-07-12 CN disclosed