SCHEMBL9347889

SCHEMBL9347889

CCCCCCC[C@H]1CC[C@H](CCC2CCC(c3cc(F)c(C)c(F)c3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
OPRL1 P41146 13/20 0.34
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.31
HTT P42858 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
SCHEMBL9351949 1.00 MAPT (0.36) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL9347694 0.99 MEN1 (0.36) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL9347767 0.99 MAPT (0.37) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL9347753 0.99 MAPT (0.37) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL9347881 0.97 MEN1 (0.36) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL9349151 0.94 CYP1A2 (0.36) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL9351877 0.93 CYP1A2 (0.37) MAPTGAAMEN1KMT2AOPRL1
SCHEMBL9347877 0.89 OPRL1 (0.36) MAPTMEN1KMT2AOPRL1
SCHEMBL9347740 0.87 OPRL1 (0.37) MAPTMEN1KMT2AOPRL1
SCHEMBL9352141 0.86 OPRL1 (0.36) OPRL1

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
US-5318721-A Nematic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-07 US disclosed
US-4871469-A TRIFLUOROTOLUENE DERIVATIVES BESCRANKTER HAFTUNG (DE) 1989-10-03 US disclosed