SCHEMBL31282002

SCHEMBL31282002

CC(C)(C)OC(=O)N1CC2(CC(CC3CCN(C(=O)OCc4ccccc4)CC3)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
GRIN2B Q13224 5/20 0.48
YAP1 P46937 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
STS P08842 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL30706089 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL18921640 0.86 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL23249942 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL29132053 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL27242967 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL30942476 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26925218 0.83 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL14716132 0.83 ENPP2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2440617 0.83 ENPP2 (0.56) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL25308718 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTKDM4E

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-4731309-A1 KRAS PROTEOLYSIS TARGETING CHIMERAS Paq Therapeutics Inc. (US) 2026-04-29 EP disclosed
WO-2024263586-A1 KRAS PROTEOLYSIS TARGETING CHIMERAS PAQ Therapeutics Inc. (US) 2024-12-26 WO disclosed