SCHEMBL29017397

SCHEMBL29017397

C#CCNCCC1(c2ccccc2)COC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ICMT O60725 12/20 0.40
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
OPRM1 P35372 2/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SLC6A4 P31645 1/20 0.34

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
SCHEMBL29017373 0.79 SIGMAR1 (0.41) ICMTOPRM1
SCHEMBL29017367 0.78 OPRM1 (0.50) MAOAOPRM1
SCHEMBL29017487 0.76 ICMT (0.38) ICMTMAOAMAOBOPRM1HTT
SCHEMBL29017415 0.74 ICMT (0.63) ICMT
SCHEMBL29017382 0.72 HTR1A (0.61) ICMTMAOAOPRM1HTT
SCHEMBL29017402 0.72 ICMT (0.63) ICMT
SCHEMBL29017398 0.70 MEN1 (0.49) ICMTOPRM1HTT
SCHEMBL5031526 0.70 MAOA (0.41) ICMTMAOAMAOBOPRM1SLC6A4
SCHEMBL29017417 0.70 OPRM1 (0.63) OPRM1
SCHEMBL29017405 0.70 MAOB (0.50) MAOAMAOBOPRM1SLC6A4

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
CN-116240194-B Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof 中国科学院天津工业生物技术研究所 2024-11-12 CN disclosed
CN-116240194-A Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof 中国科学院天津工业生物技术研究所 2023-06-09 CN disclosed