SCHEMBL9405891

SCHEMBL9405891

CCCCCCCC[C@H]1CC[C@H](CCc2ccc(-c3ccc(OCCCCC)cc3)c(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.40
RARB P10826 3/20 0.38
NR5A1 Q13285 1/20 0.38
PTPN11 Q06124 2/20 0.38
CNR1 P21554 4/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR1B P28222 1/20 0.37
HTR2B P41595 1/20 0.37
LTA4H P09960 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 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
SCHEMBL17084298 1.00 CNR2 (0.40) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL9406191 1.00 CNR2 (0.40) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL16187778 1.00 CNR2 (0.40) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL16187782 1.00 CNR2 (0.40) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL9405897 1.00 CNR2 (0.40) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL9406195 1.00 CNR2 (0.40) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL9405867 0.99 CNR2 (0.39) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL9405862 0.99 CNR2 (0.39) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL9406099 0.97 CNR2 (0.39) CNR2RARBNR5A1PTPN11CNR1
SCHEMBL9406094 0.97 CNR2 (0.39) CNR2RARBNR5A1PTPN11CNR1

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
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed