SCHEMBL31332777

SCHEMBL31332777

O=C(NCC1(c2cccc(Cl)n2)CCO1)[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HDAC4 P56524 1/20 0.42
SIGMAR1 Q99720 10/20 0.42
LMNA P02545 2/20 0.40
NAMPT P43490 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
DEGS1 O15121 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
SCHEMBL31332606 0.82 SIGMAR1 (0.39) ALDH1A1HDAC4SIGMAR1LMNANAMPT
SCHEMBL31332708 0.81 LMNA (0.48) ALDH1A1HDAC4SIGMAR1LMNASMN1; SMN2
SCHEMBL31332901 0.81 LMNA (0.48) ALDH1A1HDAC4SIGMAR1LMNASMN1; SMN2
SCHEMBL31332651 0.75 DGAT2 (0.48) ALDH1A1HDAC4SIGMAR1SMN1; SMN2CTSL
SCHEMBL31332744 0.75 DGAT2 (0.48) ALDH1A1HDAC4SIGMAR1SMN1; SMN2CTSL
SCHEMBL31332628 0.73 SIGMAR1 (0.43) ALDH1A1HDAC4SIGMAR1LMNANAMPT
SCHEMBL31332859 0.71 SIGMAR1 (0.38) ALDH1A1HDAC4SIGMAR1LMNANAMPT
SCHEMBL31332773 0.71 CTSL (0.42) ALDH1A1HDAC4SIGMAR1SMN1; SMN2CTSL
SCHEMBL31332611 0.70 LMNA (0.45) ALDH1A1HDAC4SIGMAR1LMNA
SCHEMBL31332721 0.67 LMNA (0.49) ALDH1A1HDAC4SIGMAR1LMNA

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