SCHEMBL31332809

SCHEMBL31332809

O=C(NCC1(c2cccc(Cl)c2)CC1)NC1COC2(CCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 4/20 0.46
SLC6A2 P23975 2/20 0.46
CNR1 P21554 1/20 0.41
KCNA3 P22001 1/20 0.41
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
EPHX1 P07099 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31332778 0.82 EPHX1 (0.54) SLC6A4SLC6A3SLC6A2CNR1KCNA3
SCHEMBL31332734 0.76 PTGDR2 (0.34) LMNAMEN1NPC1EPHX1TSHR
SCHEMBL31332766 0.69 HPGD (0.50) SLC6A4SLC6A3SLC6A2LMNAMEN1
SCHEMBL4431878 0.67 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CNR1KCNA3
SCHEMBL4553979 0.66 KCNA3 (0.49) SLC6A4SLC6A3SLC6A2CNR1KCNA3
SCHEMBL14482447 0.66 KCNA3 (0.49) SLC6A4SLC6A3SLC6A2CNR1KCNA3
SCHEMBL4553978 0.66 KCNA3 (0.49) SLC6A4SLC6A3SLC6A2CNR1KCNA3
SCHEMBL8190223 0.66 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2KCNA3KCNH2
SCHEMBL25613284 0.66 EPHX1 (0.44) MEN1NPC1EPHX1EPHX2RAB9A
SCHEMBL31332675 0.65 EPHX1 (0.56) SLC6A4SLC6A3SLC6A2CNR1KCNA3

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