SCHEMBL31332691

SCHEMBL31332691

[N-]=[N+]=NCC1(c2cccc(Cl)c2)CCC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
SLC6A2 P23975 2/20 0.33
DPP4 P27487 3/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
KCNA3 P22001 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR2C P28335 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL31332723 0.79 SLC6A4 (0.49) HSD11B1SLC6A4SLC6A3HCAR3HCAR2
SCHEMBL31332697 0.79 HSD11B1 (0.40) HSD11B1SLC6A4SLC6A3HCAR3HCAR2
SCHEMBL31332696 0.67 EPHX1 (0.51) SLC6A4SLC6A3KCNA3ALDH1A1MAPT
SCHEMBL31332611 0.65 LMNA (0.45) KCNA3ALDH1A1MAPT
SCHEMBL31332738 0.63 HSD11B1 (0.38) HSD11B1SLC6A4SLC6A2
SCHEMBL8107503 0.62 HCAR3 (0.42) HSD11B1SLC6A4SLC6A3HCAR3HCAR2
SCHEMBL18333453 0.62 UTS2R (0.46) SLC6A4HCAR2SLC6A2ALDH1A1
SCHEMBL9182623 0.61 HCAR3 (0.42) HSD11B1HCAR3HCAR2ALDH1A1TDP1
SCHEMBL9819493 0.60 SLC6A3 (0.44) HSD11B1SLC6A4SLC6A3HCAR3HCAR2
SCHEMBL9729268 0.60 MEN1 (0.60) HSD11B1SLC6A4SLC6A3HCAR3HCAR2

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