SCHEMBL28077993

SCHEMBL28077993

C1CCC2CC(N3CCNCC3)CCC2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.50
OPRM1 P35372 10/20 0.50
OPRK1 P41145 4/20 0.50
HTR6 P50406 1/20 0.47
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 2/20 0.37
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC18A3 Q16572 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32

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
SCHEMBL6132160 0.88 HTR6 (0.50) OPRL1OPRM1OPRK1HTR6HPGD
SCHEMBL6132161 0.88 HTR6 (0.50) OPRL1OPRM1OPRK1HTR6HPGD
SCHEMBL20445391 0.86 HTR6 (0.50) OPRL1OPRM1OPRK1HTR6HPGD
SCHEMBL9359371 0.83 OPRM1 (0.51) OPRL1OPRM1OPRK1HTR6KMT2A
SCHEMBL12856303 0.81 OPRL1 (0.50) OPRL1OPRM1OPRK1KMT2AOPRD1
SCHEMBL6378386 0.76 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1L3MBTL3
SCHEMBL20324222 0.75 HPGD (0.33) OPRL1OPRM1OPRK1HTR6HPGD
SCHEMBL271868 0.75 HTR6 (0.67) OPRL1OPRM1OPRK1HTR6HPGD
SCHEMBL2554458 0.75 HPGD (0.52) OPRL1OPRM1OPRK1HTR6HPGD
SCHEMBL63548 0.75

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-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN disclosed