SCHEMBL7486355

SCHEMBL7486355

COc1ccccc1N(C)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
OPRL1 P41146 4/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CCR5 P51681 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL10029044 0.77 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL2915912 0.75 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL27461153 0.75 CA1 (0.44) ALDH1A1SLC6A2SLC6A4CHRM2CHRM1
SCHEMBL7817761 0.70 SLC6A3 (0.40) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL7486348 0.70 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL13778885 0.70 CCR5 (0.47) OPRD1MEN1KMT2AALDH1A1CCR5
SCHEMBL7484764 0.70 LMNA (0.56) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL1221934 0.69 KMT2A (0.49) OPRM1OPRD1OPRL1MEN1KMT2A
SCHEMBL2911607 0.69 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL13778883 0.68 CYP2D6 (0.44) OPRM1OPRD1MEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228065-A1 (INDOL-3-YL)-CYCLOALKYL]-3-SUBSTITUTED AZETIDINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Wyeth (US) 2002-08-07 EP disclosed
US-6245799-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORP 2001-06-12 US disclosed
WO-2001034598-A1 [(INDOL-3-YL)-CYCLOALKYL]-3-SUBSTITUTED AZETIDINES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WYETH (US) 2001-05-17 WO disclosed