SCHEMBL20079201

SCHEMBL20079201

CNCC1(NC)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.41
SLC6A3 Q01959 18/20 0.38
SLC6A2 P23975 8/20 0.38
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31

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
SCHEMBL25530516 1.00 SLC6A4 (0.41) SLC6A4SLC6A3SLC6A2HTR3EHTR3B
SCHEMBL817636 0.78 SLC6A4 (0.30) SLC6A4
SCHEMBL5703325 0.76
SCHEMBL5703284 0.76
SCHEMBL5703328 0.76
SCHEMBL4351529 0.74 USP2 (0.32)
SCHEMBL8280715 0.74 USP2 (0.32)
SCHEMBL25532376 0.74 USP2 (0.32)
SCHEMBL419801 0.74 DPP4 (0.34)
SCHEMBL420711 0.74 DPP4 (0.34)

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-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed