SCHEMBL9405876

SCHEMBL9405876

CCCCCCCc1ccc(OCC2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.35
RIPK1 Q13546 1/20 0.35
CNR1 P21554 8/20 0.34
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9405983 1.00 CNR2 (0.35) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL9406103 1.00 CNR2 (0.35) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL9405877 1.00 CNR2 (0.35) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL9405979 1.00 CNR2 (0.35) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL9406101 1.00 CNR2 (0.35) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL8451737 0.99 RIPK1 (0.36) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL8451741 0.99 RIPK1 (0.36) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL8451744 0.99 RIPK1 (0.36) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL10429666 0.99 RIPK1 (0.36) CNR2RIPK1CNR1TSHRMEN1
SCHEMBL9405761 0.95 RIPK1 (0.36) CNR2RIPK1TYRHTR2AHTR2C

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