SCHEMBL7535384

SCHEMBL7535384

COc1cccc(OC2CN([C@H]3CC[C@H](c4cc5cc(C#N)ccc5[nH]4)CC3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.42
SLC6A3 Q01959 5/20 0.42
SLC6A4 P31645 4/20 0.42
HRH3 Q9Y5N1 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
PDE9A O76083 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
MGLL Q99685 1/20 0.35
VCP P55072 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
SCHEMBL7534575 1.00 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HRH3HTR2A
SCHEMBL7534567 1.00 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HRH3HTR2A
SCHEMBL7533530 0.85 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HRH3HTR2A
SCHEMBL7533925 0.85 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HRH3HTR2A
SCHEMBL7533532 0.85 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HRH3HTR2A
SCHEMBL26619764 0.72 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4HRH3PDE9A
SCHEMBL1429949 0.70 AXL (0.57) HRH3
SCHEMBL7531341 0.69 SLC6A4 (0.56) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL7531345 0.69 SLC6A4 (0.56) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL7588873 0.69 SLC6A4 (0.56) SLC6A2SLC6A3SLC6A4HTR1A

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