SCHEMBL31332704

SCHEMBL31332704

NCC1(c2cccc(Cl)c2)CCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.55
SLC6A4 P31645 5/20 0.55
DPP4 P27487 5/20 0.47
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
DPP9 Q86TI2 3/20 0.44
DPP8 Q6V1X1 3/20 0.44
SLC6A2 P23975 5/20 0.41
ICMT O60725 3/20 0.39
PNMT P11086 1/20 0.39
BACE1 P56817 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRNA1 P02708 3/20 0.38
CHRNG P07510 3/20 0.38
CHRNB1 P11230 3/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38

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
SCHEMBL31332698 1.00 SLC6A3 (0.55) SLC6A3SLC6A4DPP4HTR2CHTR2A
SCHEMBL31332690 1.00 SLC6A3 (0.55) SLC6A3SLC6A4DPP4HTR2CHTR2A
SCHEMBL31332763 0.80 ICMT (0.42) SLC6A3SLC6A4SLC6A2ICMTBACE1
SCHEMBL31332753 0.80 ICMT (0.42) SLC6A3SLC6A4SLC6A2ICMTBACE1
SCHEMBL31332723 0.77 SLC6A4 (0.49) SLC6A3SLC6A4DPP4HTR2CHTR2A
SCHEMBL15057062 0.75 SLC6A4 (0.71) SLC6A3SLC6A4DPP4DPP9DPP8
SCHEMBL10624034 0.75 SLC6A4 (0.83) SLC6A3SLC6A4DPP4HTR2CHTR2A
SCHEMBL4439988 0.75 SLC6A4 (0.66) SLC6A3SLC6A4DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL29428954 0.74 SLC6A4 (0.69) SLC6A3SLC6A4DPP4HTR2CHTR2A
SCHEMBL9819493 0.74 SLC6A3 (0.44) SLC6A3SLC6A4DPP4HTR2CHTR2A

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
EP-4709708-A1 NOVEL CARBOXAMIDE DERIVATIVES ANGELINI PHARMA S.P.A. (IT) 2026-03-18 EP disclosed
WO-2024233603-A1 NOVEL CARBOXAMIDE DERIVATIVES ICAGEN, LLC (US) 2024-11-14 WO disclosed