SCHEMBL9130378

SCHEMBL9130378

COc1ccccc1CCNC1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.53
SLC6A2 P23975 3/20 0.53
SLC6A3 Q01959 3/20 0.53
HTR1A P08908 2/20 0.49
HTR1D P28221 10/20 0.49
HTR1E P28566 2/20 0.47

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
SCHEMBL9128910 0.87 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3HTR1AHTR1D
SCHEMBL9129606 0.85 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3HTR1AHTR1D
SCHEMBL9130388 0.85 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR1AHTR1D
SCHEMBL9128659 0.84 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HTR1AHTR1D
SCHEMBL9163046 0.84 HTR1D (0.73) SLC6A2HTR1AHTR1DHTR1E
SCHEMBL9128867 0.82 HTR1D (0.55) SLC6A4SLC6A2SLC6A3HTR1AHTR1D
SCHEMBL9128022 0.82 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HTR1AHTR1D
SCHEMBL9130185 0.81 HTR1D (0.57) SLC6A4SLC6A2SLC6A3HTR1AHTR1D
SCHEMBL9129397 0.81 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR1AHTR1D
SCHEMBL9126825 0.80 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HTR1AHTR1D

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