SCHEMBL9628740

SCHEMBL9628740

CC=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(Cl)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A3 Q01959 6/20 0.34
HTR7 P34969 1/20 0.33
HSD11B1 P28845 1/20 0.31
KCNH2 Q12809 3/20 0.31
CYP2D6 P10635 2/20 0.30
HDAC2 Q92769 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL9181698 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR7HSD11B1
SCHEMBL9628737 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR7HSD11B1
SCHEMBL9181691 1.00 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR7HSD11B1
SCHEMBL9136541 0.93 OPRL1 (0.33) SLC6A2SLC6A4SLC6A3HSD11B1
SCHEMBL8518665 0.88 OPRL1 (0.34) SLC6A2SLC6A4SLC6A3HTR7HSD11B1
SCHEMBL6458821 0.88 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL8518672 0.88 OPRL1 (0.34) SLC6A2SLC6A4SLC6A3HTR7HSD11B1
SCHEMBL8518669 0.88 OPRL1 (0.34) SLC6A2SLC6A4SLC6A3HTR7HSD11B1
SCHEMBL8518668 0.88 OPRL1 (0.34) SLC6A2SLC6A4SLC6A3HTR7HSD11B1
SCHEMBL8518671 0.88 OPRL1 (0.34) SLC6A2SLC6A4SLC6A3HTR7HSD11B1

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-5174921-A BICYCLOHEXYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 1992-12-29 US disclosed