SCHEMBL31332782

SCHEMBL31332782

CO[C@@](C)(CNC(=O)C1CC12CCOCC2)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CETP P11597 1/20 0.35
FKBP1A P62942 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DGAT2 Q96PD7 3/20 0.33
P2RX7 Q99572 2/20 0.33
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP1 P03956 2/20 0.33
MMP13 P45452 2/20 0.33
MGAT2 Q10469 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
KCNH2 Q12809 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
SCHEMBL31332770 0.91 NPC1 (0.44) NPC1POLBRAB9ASMN1; SMN2CETP
SCHEMBL31332623 0.89 NPC1 (0.39) NPC1POLBRAB9ASMN1; SMN2CETP
SCHEMBL31332790 0.74 TAAR1 (0.37) ALDH1A1KCNH2
SCHEMBL31332891 0.73 SIGMAR1 (0.45) POLBALDH1A1DGAT2TP53
SCHEMBL31332854 0.73 SIGMAR1 (0.53) ALDH1A1DGAT2MGAT2TSHR
SCHEMBL31332732 0.73 TAAR1 (0.39) ALDH1A1
SCHEMBL31332624 0.73 TAAR1 (0.39) ALDH1A1
SCHEMBL31332799 0.72 POLB (0.53) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL31332620 0.72 EPHX2 (0.40) NPC1POLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL31332801 0.72 EPHX2 (0.49) NPC1RAB9ASMN1; SMN2TSHR

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