SCHEMBL31332780

SCHEMBL31332780

O=C(O)[C@H]1C[C@@H]1c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.48
FFAR1 O14842 1/20 0.46
GPR88 Q9GZN0 7/20 0.45
ITK Q08881 1/20 0.44
NR4A2 P43354 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1207556 1.00 RIPK1 (0.48) RIPK1FFAR1GPR88ITKNR4A2
SCHEMBL29730159 1.00 RIPK1 (0.48) RIPK1FFAR1GPR88ITKNR4A2
SCHEMBL2518996 1.00 RIPK1 (0.48) RIPK1FFAR1GPR88ITKNR4A2
SCHEMBL13167851 1.00 RIPK1 (0.48) RIPK1FFAR1GPR88ITKNR4A2
SCHEMBL3596616 1.00 RIPK1 (0.48) RIPK1FFAR1GPR88ITKNR4A2
SCHEMBL22092529 0.88 GRM5 (0.42) RIPK1FFAR1GPR88ITKLMNA
SCHEMBL30243669 0.84 GPR88 (0.45) RIPK1GPR88ITKNPC1MAPT
SCHEMBL29295352 0.84 ITK (0.46) RIPK1GPR88ITKNPC1MAPT
SCHEMBL15219719 0.84 ITK (0.46) RIPK1GPR88ITKNPC1MAPT
SCHEMBL27885579 0.81 ITK (0.40) RIPK1GPR88ITKFFAR4NPC1

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