SCHEMBL11005100

SCHEMBL11005100

CN1Cc2sc(CN3CCCC3)cc2C(c2ccc(Br)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.44
HRH3 Q9Y5N1 8/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11000327 0.91 SLC6A4 (0.43) SLC6A4HRH3NPC1RAB9ASLC6A2
SCHEMBL11169584 0.89 SLC6A4 (0.48) SLC6A4HRH3NPC1RAB9ASLC6A2
SCHEMBL10999020 0.87 SLC6A4 (0.54) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL11000899 0.84 SLC6A4 (0.52) SLC6A4HRH3NPC1RAB9ASLC6A2
SCHEMBL11005547 0.81 NPC1 (0.40) SLC6A4HRH3NPC1RAB9ASLC6A2
SCHEMBL11218070 0.80 NPC1 (0.47) SLC6A4NPC1RAB9ASLC6A2SLC6A3
SCHEMBL10999159 0.80 SLC6A4 (0.45) SLC6A4HRH3NPC1RAB9ASLC6A2
SCHEMBL10998907 0.80 SLC6A4 (0.39) SLC6A4HRH3NPC1RAB9ASLC6A2
SCHEMBL11005727 0.78 SLC6A4 (0.58) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL11000109 0.78 SLC6A2 (0.46) SLC6A4NPC1RAB9ASLC6A2SLC6A3

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
US-4550106-A ANTIDEPRESSANTS BOEHRINGER INGELHEIM KG (DE) 1985-10-29 US disclosed
US-4482559-A ANTIDEPRESSANT BOEHRINGER INGELHEIM KG (DE) 1984-11-13 US disclosed
EP-0088250-A2 Basic substituted 4-phenyl-4,5,6,7-tetrahydrothieno(2,3-c) pyridines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER INGELHEIM KG (DE) 1983-09-14 EP disclosed