SCHEMBL7182597

SCHEMBL7182597

NC(=O)OC1(CCNCc2ccccc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
ATM Q13315 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7531427 0.77 CTSK (0.50) MAOAALDH1A1
SCHEMBL28951054 0.75 CTSK (0.49) MAOAALDH1A1
SCHEMBL23023179 0.72 MEN1 (0.52) OPRM1MEN1KMT2ATDP1DPP7
SCHEMBL27484621 0.71 CTSL (0.43) OPRM1MEN1KMT2AATMDPP7
SCHEMBL29133806 0.70 LMNA (0.57) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL7182602 0.69 MAPT (0.43) MEN1KMT2AATMALDH1A1
Hydrochloric Acid SCHEMBL27146101 0.69 LMNA (0.41) OPRM1MEN1KMT2ADPP7MAOA
Bicarbonate SCHEMBL11577700 0.68 MEN1 (0.81) MEN1KMT2ATDP1HDAC3HDAC1
Carbamic Acid SCHEMBL15635796 0.68 HDAC8 (0.60) MEN1KMT2ATDP1HDAC3HDAC1
SCHEMBL1073365 0.68 MEN1 (0.59) OPRM1OPRD1OPRK1MEN1KMT2A

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
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed