SCHEMBL31332770

SCHEMBL31332770

CO[C@@](C)(CNC(=O)C1CC12CCCCC2)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DGAT2 Q96PD7 4/20 0.40
MGAT2 Q10469 1/20 0.40
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CETP P11597 1/20 0.35
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL31332782 0.91 NPC1 (0.39) NPC1RAB9APOLBSMN1; SMN2DGAT2
SCHEMBL31332623 0.90 NPC1 (0.39) NPC1RAB9APOLBSMN1; SMN2DGAT2
SCHEMBL31332734 0.77 PTGDR2 (0.34) NPC1RAB9ATP53HTTLMNA
SCHEMBL31332706 0.76 EPHX2 (0.53) NPC1RAB9APOLBSMN1; SMN2HPGD
SCHEMBL31332732 0.76 TAAR1 (0.39) ALDH1A1
SCHEMBL31332624 0.76 TAAR1 (0.39) ALDH1A1
SCHEMBL31332790 0.75 TAAR1 (0.37) ALDH1A1SLC6A3
SCHEMBL31332653 0.74 EPHX2 (0.49) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL31332801 0.74 EPHX2 (0.49) NPC1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL31332705 0.74 EPHX1 (0.54) NPC1POLBTP53HTTCYP3A4

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