SCHEMBL29017367

SCHEMBL29017367

c1ccc(CNCCC2(c3ccccc3)COC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
MAOA P21397 1/20 0.46
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CHRM2 P08172 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 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
SCHEMBL29017382 0.90 HTR1A (0.61) OPRM1MEN1KMT2ATDP1HTR1A
SCHEMBL29017417 0.90 OPRM1 (0.63) OPRM1MEN1KMT2ATDP1HTR1A
SCHEMBL29017398 0.86 MEN1 (0.49) OPRM1MEN1KMT2AHTR1AHTR7
SCHEMBL29017371 0.86 ICMT (0.47) OPRM1MEN1KMT2ATDP1HTR1A
SCHEMBL29017373 0.78 SIGMAR1 (0.41) OPRM1HTR1AHTR7HTR6ALDH1A1
SCHEMBL29017487 0.78 ICMT (0.38) OPRM1KMT2AMAOAALDH1A1GAA
SCHEMBL29017397 0.78 ICMT (0.40) OPRM1MAOA
SCHEMBL29017415 0.77 ICMT (0.63)
SCHEMBL12542474 0.76 OPRM1 (0.71) OPRM1HTR1AHTR7HTR6
SCHEMBL12541297 0.75 OPRM1 (0.84) OPRM1MEN1KMT2AHTR1AHTR7

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 4 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 claimed
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 claimed
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