SCHEMBL31332723

SCHEMBL31332723

NCC1(c2cccc(Cl)c2)CCC(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
DPP4 P27487 8/20 0.43
DPP9 Q86TI2 5/20 0.43
DPP8 Q6V1X1 5/20 0.43
HTR2C P28335 2/20 0.40
HSD11B1 P28845 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A2 P23975 2/20 0.37
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
KCNA3 P22001 1/20 0.35
KCNH2 Q12809 1/20 0.35
PNMT P11086 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL31332697 0.86 HSD11B1 (0.40) SLC6A4SLC6A3DPP4DPP9DPP8
SCHEMBL31332738 0.82 HSD11B1 (0.38) SLC6A4HSD11B1SLC6A2
SCHEMBL31332691 0.79 HSD11B1 (0.36) SLC6A4SLC6A3DPP4DPP9DPP8
SCHEMBL31332698 0.77 SLC6A3 (0.55) SLC6A4SLC6A3DPP4DPP9DPP8
SCHEMBL31332704 0.77 SLC6A3 (0.55) SLC6A4SLC6A3DPP4DPP9DPP8
SCHEMBL31332690 0.77 SLC6A3 (0.55) SLC6A4SLC6A3DPP4DPP9DPP8
SCHEMBL31332696 0.72 EPHX1 (0.51) SLC6A4SLC6A3KCNA3KCNH2
SCHEMBL10624034 0.70 SLC6A4 (0.83) SLC6A4SLC6A3DPP4DPP9DPP8
SCHEMBL2336843 0.67 SLC6A4 (0.90) SLC6A4SLC6A3DPP4DPP9DPP8
SCHEMBL8107503 0.67 HCAR3 (0.42) SLC6A4SLC6A3DPP4DPP9HTR2C

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