SCHEMBL7486348

SCHEMBL7486348

COc1ccccc1C(N)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.46
OPRD1 P41143 6/20 0.46
OPRK1 P41145 6/20 0.46
OPRL1 P41146 6/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
CYP19A1 P11511 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL21901789 0.80 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL14862503 0.76 CA1 (0.44) IDO1TDO2ALDH1A1CHRM2CHRM4
SCHEMBL1494144 0.73 CA1 (0.41) IDO1TDO2ALDH1A1LMNACHRM2
SCHEMBL90586 0.72 CHRM2 (0.44) OPRK1MEN1KMT2ACHRM2CHRM4
SCHEMBL7484764 0.71 LMNA (0.56) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL16448458 0.71 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL8672898 0.71 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL7486355 0.70 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL5666369 0.70 IDO1 (0.38) IDO1TDO2ALDH1A1CHRM2CHRM4
SCHEMBL2911607 0.70 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1MEN1

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