SCHEMBL29239602

SCHEMBL29239602

O=C(O)[C@@H]1C(C(=O)N2CCCC2)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PREP P48147 4/20 0.52
ACE2 Q9BYF1 2/20 0.47
CYP2C19 P33261 1/20 0.47
CTRB1 P17538 1/20 0.47

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
SCHEMBL27190405 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL27190317 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097159 0.91 PREP (0.48) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL9132544 0.89 NPC1 (0.54) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097140 0.89 PREP (0.48) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097194 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097167 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL31097172 0.87 AGTR2 (0.51) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL30036922 0.86 PREP (0.48) PREPACE2
SCHEMBL27190350 0.86 PREP (0.46) SMN1; SMN2NPC1RAB9APREPACE2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043316-A Factor XIIa inhibitors 卢纳克治疗有限公司 2024-05-14 CN disclosed