SCHEMBL7414031

SCHEMBL7414031

COc1ccc([C@@]2(O)C[C@@H]3c4ccccc4[C@@H]2C[C@@H]3N(C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CCR5 P51681 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
CNR2 P34972 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9465607 1.00 SIGMAR1 (0.42) SIGMAR1CHRM5CHRM1CHRM3CCR5
SCHEMBL7414005 0.79 SIGMAR1 (0.46) SIGMAR1CHRM5CHRM1CHRM3OPRM1
SCHEMBL7414002 0.79 SIGMAR1 (0.46) SIGMAR1CHRM5CHRM1CHRM3OPRM1
SCHEMBL9466894 0.78 SIGMAR1 (0.45) SIGMAR1CHRM5CHRM1CHRM3CCR5
SCHEMBL7460954 0.75 ACHE (0.41) SIGMAR1OPRM1OPRL1MEN1KMT2A
SCHEMBL7471572 0.75 ACHE (0.41) SIGMAR1OPRM1OPRL1MEN1KMT2A
SCHEMBL7467958 0.75 ACHE (0.41) SIGMAR1OPRM1OPRL1MEN1KMT2A
SCHEMBL7412849 0.70 SIGMAR1 (0.49) SIGMAR1CHRM5CHRM1CHRM3CCR5
SCHEMBL7412853 0.70 SIGMAR1 (0.49) SIGMAR1CHRM5CHRM1CHRM3CCR5
SCHEMBL19390631 0.68 SIGMAR1 (0.60) SIGMAR1CHRM5CHRM1CHRM3CCR5

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-5276026-A Tetrahydroethanonaphthaleneamine derivatives E. R. SQUIBB & SONS, INC. (US) 1994-01-04 US disclosed
US-5202486-A Tetrahydroethanonaphthaleneamine derivatives E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed