SCHEMBL8107599

SCHEMBL8107599

CN1C2C=C(c3cc4ccccc4[nH]3)CC1CC2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.55
SLC6A4 P31645 5/20 0.55
SLC6A3 Q01959 5/20 0.55
HTR1A P08908 1/20 0.52
HTR6 P50406 1/20 0.47
VCP P55072 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL8107601 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL3062717 0.74 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL7806031 0.72 SLC6A4 (0.80) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL6500396 0.72 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL8219478 0.71 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR6SIGMAR1
SCHEMBL5829586 0.71 SLC6A4 (0.69) SLC6A2SLC6A4SLC6A3HTR6SIGMAR1
SCHEMBL3060287 0.70 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL6488330 0.69 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL6488329 0.69 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL6498586 0.68 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3HTR1AHTR6

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