SCHEMBL28835152

SCHEMBL28835152

Fc1ccccc1C1([SnH])CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.43
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
PDK2 Q15119 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PDE7A Q13946 1/20 0.36
HSD11B1 P28845 2/20 0.33
HSD11B2 P80365 1/20 0.33
ACHE P22303 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL15621612 0.71 HDAC4 (0.43) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL23232242 0.71 OPRM1 (0.59) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL11971801 0.71 HDAC4 (0.43) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL28947470 0.71 HDAC4 (0.43) HDAC4OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL29668826 0.70 HDAC4 (0.42) HDAC4OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL1936835 0.70 HDAC4 (0.42) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL8766211 0.70 HSD11B1 (0.53) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL2776265 0.68 HDAC4 (0.49) HDAC4
SCHEMBL1769351 0.68 HDAC4 (0.41) HDAC4OPRM1OPRD1OPRK1OPRL1
SCHEMBL3863243 0.68 HDAC4 (0.44) HDAC4OPRM1OPRD1OPRK1OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970708-A Cannibinoid receptor modulators 艾尼纳制药公司 2019-07-05 CN disclosed
CN-103492369-B Cannabinoid receptor modulators 艾尼纳制药公司 2019-03-29 CN disclosed
CN-102596913-B Cannabinoid receptor modulators 艾尼纳制药公司 2016-11-09 CN disclosed