SCHEMBL9406296

SCHEMBL9406296

CCCCCCCC1CCC(C2CCC(c3cccc(F)c3F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HCRTR2 O43614 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GRM2 Q14416 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL9406038 1.00 OPRL1 (0.39) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL9405926 1.00 OPRL1 (0.39) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL9406301 1.00 OPRL1 (0.39) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL9405921 1.00 OPRL1 (0.39) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL9406288 0.99 OPRL1 (0.40) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL9406292 0.99 OPRL1 (0.40) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL7567390 0.96 OPRL1 (0.41) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL7567383 0.96 OPRL1 (0.41) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL9406106 0.95 OPRL1 (0.41) OPRL1GAAMAPTHCRTR2MEN1
SCHEMBL9406111 0.95 OPRL1 (0.41) OPRL1GAAMAPTHCRTR2MEN1

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