SCHEMBL29017371

SCHEMBL29017371

Cc1cccc(C2(CCNCc3ccccc3)COC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.47
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
OPRM1 P35372 11/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29017367 0.86 OPRM1 (0.50) HTR1AHTR7HTR6OPRM1MEN1
SCHEMBL29017382 0.85 HTR1A (0.61) ICMTHTR1AHTR7HTR6OPRM1
SCHEMBL29017417 0.77 OPRM1 (0.63) HTR1AHTR7HTR6OPRM1KDM4E
SCHEMBL29017398 0.77 MEN1 (0.49) ICMTHTR1AHTR7HTR6OPRM1
SCHEMBL30372779 0.75 ACSS2 (0.41) ICMTOPRM1
SCHEMBL29017364 0.75 ACSS2 (0.41) ICMTOPRM1
SCHEMBL12541009 0.74 OPRM1 (0.69) ICMTHTR1AHTR7HTR6OPRM1
SCHEMBL12541012 0.74 OPRM1 (0.69) ICMTHTR1AHTR7HTR6OPRM1
SCHEMBL12542027 0.73 OPRM1 (0.62) HTR1AHTR7HTR6OPRM1CYP2D6
SCHEMBL29620021 0.73 OPRM1 (0.62) HTR1AHTR7HTR6OPRM1CYP2D6

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