Sugi Predict

Sugi Predict / Compounds / SCHEMBL9130786

SCHEMBL9130786

SCHEMBL9130786

CC(C)N(C(C)C)C1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.78
▸ SLC6A2 P23975 4/20 0.78
▸ SLC6A3 Q01959 4/20 0.78
▸ HTR6 P50406 2/20 0.56
▸ HTR1A P08908 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ HTR2A P28223 1/20 0.44

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
SCHEMBL9126761 0.88 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL9130289 0.81 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL9128688 0.79 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL7483841 0.78 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL9133062 0.77 SLC6A4 (0.67) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL9129397 0.77 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL4880407 0.72 HTR6 (1.00) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL9130983 0.71 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL6639190 0.71 HTR6 (0.67) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL1122074 0.71 SLC6A4 (1.00) SLC6A4HTR6HTR1A

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