SCHEMBL9130289

SCHEMBL9130289

CC(C)NC1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.66
SLC6A2 P23975 3/20 0.66
SLC6A3 Q01959 3/20 0.66
HTR6 P50406 1/20 0.56
HTR1D P28221 7/20 0.47
HTR1E P28566 2/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL9129397 0.85 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR6HTR1D
SCHEMBL9130786 0.81 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL9130983 0.80 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR6HTR1D
SCHEMBL9126761 0.79 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL9129606 0.78 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR6HTR1D
SCHEMBL7483841 0.78 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL9128867 0.77 HTR1D (0.55) SLC6A4SLC6A2SLC6A3HTR6HTR1D
SCHEMBL9128022 0.77 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR6HTR1D
SCHEMBL9130388 0.77 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR1DHTR1E
SCHEMBL9130185 0.76 HTR1D (0.57) SLC6A4SLC6A2SLC6A3HTR6HTR1D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5468767-A FOR ADMINISTERING TO MAMMALS BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-21 US claimed