SCHEMBL31332609

SCHEMBL31332609

N#Cc1cccc(C2(CNC(=O)[C@H]3C[C@@H]3c3ccccc3)COC2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 3/20 0.49
ALDH1A1 P00352 2/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
HSD11B1 P28845 1/20 0.41
HDAC4 P56524 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
MAOA P21397 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
GRIN2B Q13224 1/20 0.39
GPR88 Q9GZN0 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
SCHEMBL31332721 0.87 LMNA (0.49) ALDH1A1HDAC4SIGMAR1
SCHEMBL31332651 0.83 DGAT2 (0.48) DGAT2ALDH1A1CTSLCTSBHSD11B1
SCHEMBL31332744 0.83 DGAT2 (0.48) DGAT2ALDH1A1CTSLCTSBHSD11B1
SCHEMBL31332807 0.83 DGAT2 (0.46) DGAT2ALDH1A1CTSLCTSBHSD11B1
SCHEMBL31332759 0.80 DGAT2 (0.46) DGAT2ALDH1A1CTSLCTSBHSD11B1
SCHEMBL31332769 0.75 DGAT2 (0.41) DGAT2ALDH1A1CTSLCTSBHSD11B1
SCHEMBL31332702 0.75 DGAT2 (0.41) DGAT2CTSLCTSBHSD11B1MAOA
SCHEMBL31332639 0.73 TSHR (0.56) HSD11B1
SCHEMBL31332673 0.70 LMNA (0.47) ALDH1A1HDAC4SIGMAR1
SCHEMBL31332798 0.68 PRKACA (0.45) HSD11B1MAOAMAOB

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