SCHEMBL29017398

SCHEMBL29017398

COc1ccc(C2(CCNCc3ccccc3)COC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ATM Q13315 1/20 0.49
OPRM1 P35372 6/20 0.48
BCHE P06276 2/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
CHRM2 P08172 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ICMT O60725 2/20 0.43
MAPK1 P28482 1/20 0.43

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) MEN1KMT2AOPRM1HTR1AHTR7
SCHEMBL29017382 0.85 HTR1A (0.61) MEN1KMT2AOPRM1HTR1AHTR7
SCHEMBL29017417 0.83 OPRM1 (0.63) MEN1KMT2AOPRM1HTR1AHTR7
SCHEMBL29017371 0.77 ICMT (0.47) MEN1KMT2AOPRM1HTR1AHTR7
SCHEMBL12692092 0.76 ICMT (0.73) MEN1KMT2AOPRM1HTR1AHTR7
SCHEMBL31731143 0.75 OPRM1 (0.67) MEN1KMT2AOPRM1BCHEHTR1A
SCHEMBL16539523 0.73 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2
SCHEMBL1279045 0.72 HTT (0.73) MEN1KMT2AATMBCHECHRM2
SCHEMBL12131075 0.71 MEN1 (0.85) MEN1KMT2AATMBCHECHRM2
SCHEMBL10032816 0.71 MEN1 (0.85) MEN1KMT2AATMBCHECHRM2

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