SCHEMBL8107625

SCHEMBL8107625

CN1C2C=C(c3cncc4ccccc34)CC1CC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.57
SLC6A4 P31645 5/20 0.57
SLC6A3 Q01959 5/20 0.57
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CYP11B2 P19099 4/20 0.39
HTR6 P50406 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
PRKCZ Q05513 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL8107623 1.00 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR1AHTR7
SCHEMBL3423701 0.84 SLC6A3 (0.66) SLC6A2SLC6A4SLC6A3HTR1AHTR7
Bromide SCHEMBL8106532 0.79 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR6IRAK4
SCHEMBL5829723 0.75 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL5829382 0.74 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3HTR6
SCHEMBL8207336 0.74 SLC6A4 (0.71) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL6743669 0.73 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL6491424 0.73 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL6709876 0.73 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR1AHTR6
SCHEMBL6490964 0.73 SLC6A4 (0.58) 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