SCHEMBL8108438

SCHEMBL8108438

CN1C2C=C(c3cc4cc(Cl)ccc4s3)CC1CC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
SLC6A2 P23975 5/20 0.44
SLC6A4 P31645 5/20 0.44
SLC6A3 Q01959 5/20 0.44
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
ALDH1A1 P00352 1/20 0.34
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
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL3062717 0.84 SLC6A4 (0.53) HTR6SLC6A2SLC6A4SLC6A3NOS3
SCHEMBL2419033 0.83 SLC6A2 (0.43) HTR6SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL2419034 0.83 SLC6A2 (0.43) HTR6SLC6A2SLC6A4SLC6A3CHRNA7
Hydrochloric Acid SCHEMBL6498978 0.82 SLC6A4 (0.52) HTR6SLC6A2SLC6A4SLC6A3OPRM1
Cadaverine Tartrate SCHEMBL3542909 0.78 SLC6A3 (0.48) HTR6SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL3542115 0.77 SLC6A2 (0.49) HTR6SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL3542111 0.77 SLC6A2 (0.49) HTR6SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6553385 0.77 SLC6A4 (0.58) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5829525 0.77 SLC6A4 (0.58) HTR6SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7210034 0.77 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3

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