SCHEMBL8112295

SCHEMBL8112295

CN1C2C=C(c3csc4cc(Cl)ccc34)CC1CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
SLC6A3 Q01959 5/20 0.47
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6709876 0.83 SLC6A4 (0.58) HTR6SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL6490964 0.83 SLC6A4 (0.58) HTR6SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL8108438 0.72 HTR6 (0.50) HTR6SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL1021888 0.72 SLC6A2 (0.58) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5829525 0.71 SLC6A4 (0.58) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6553385 0.71 SLC6A4 (0.58) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL1023293 0.71 SLC6A2 (0.57) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1023137 0.70 SLC6A2 (0.72) HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL1023136 0.70 SLC6A2 (0.72) HTR6SLC6A2SLC6A4SLC6A3
SCHEMBL6552082 0.70 SLC6A4 (0.56) HTR6SLC6A2SLC6A4SLC6A3

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-6107307-A PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 2000-08-22 US disclosed
EP-0969005-A1 Azabicyclic inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 2000-01-05 EP disclosed