SCHEMBL31332644

SCHEMBL31332644

NCC1(c2cccc(Cl)c2)OCC1(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.49
SLC6A4 P31645 9/20 0.49
HTR2C P28335 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49
DPP4 P27487 4/20 0.42
SLC6A2 P23975 9/20 0.40
CHRNA1 P02708 7/20 0.40
CHRNB1 P11230 7/20 0.40
CHRNB2 P17787 7/20 0.40
CHRNB4 P30926 7/20 0.40
CHRNA3 P32297 7/20 0.40
CHRNA4 P43681 7/20 0.40
CHRNG P07510 5/20 0.40
CHRND Q07001 5/20 0.40
DPP9 Q86TI2 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
PNMT P11086 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL31332626 0.83 SLC6A4 (0.38) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL31332630 0.72 SLC6A4 (0.66) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL31332698 0.71 SLC6A3 (0.55) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL31332704 0.71 SLC6A3 (0.55) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL31332690 0.71 SLC6A3 (0.55) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL27783648 0.71 SLC6A3 (0.53) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL27783647 0.71 SLC6A3 (0.53) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL7787371 0.70 HTR2C (0.43) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL10624034 0.69 SLC6A4 (0.83) SLC6A3SLC6A4HTR2CHTR2AHTR2B
SCHEMBL31332979 0.69 SLC6A3 (0.40) SLC6A3SLC6A4HTR2CHTR2AHTR2B

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