SCHEMBL31332744

SCHEMBL31332744

N#Cc1cccc([C@@]2(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)CCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 3/20 0.48
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD11B1 P28845 1/20 0.41
HDAC4 P56524 1/20 0.40
SIGMAR1 Q99720 5/20 0.40
MAOA P21397 2/20 0.40
GPR88 Q9GZN0 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
GRIN2B Q13224 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL31332651 1.00 DGAT2 (0.48) DGAT2CTSLCTSBALDH1A1HSD11B1
SCHEMBL31332769 0.92 DGAT2 (0.41) DGAT2CTSLCTSBALDH1A1HSD11B1
SCHEMBL31332702 0.92 DGAT2 (0.41) DGAT2CTSLCTSBHSD11B1MAOA
SCHEMBL31332901 0.87 LMNA (0.48) ALDH1A1HDAC4SIGMAR1NPC1RAB9A
SCHEMBL31332708 0.87 LMNA (0.48) ALDH1A1HDAC4SIGMAR1NPC1RAB9A
SCHEMBL31332759 0.87 DGAT2 (0.46) DGAT2CTSLCTSBALDH1A1HSD11B1
SCHEMBL31332674 0.86 DGAT2 (0.40) DGAT2HSD11B1GPR88GRIN2B
SCHEMBL31332612 0.86 DGAT2 (0.36) DGAT2CTSLCTSBALDH1A1HSD11B1
SCHEMBL31332724 0.84 HSD11B1 (0.40) HSD11B1GRIN2B
SCHEMBL31332773 0.84 CTSL (0.42) DGAT2CTSLCTSBALDH1A1HDAC4

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