SCHEMBL1759322

SCHEMBL1759322

COc1ccccc1-c1cccc(CC=Nc2c(C(C)C)cccc2C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.50
CASR P41180 1/20 0.46
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
FFAR1 O14842 7/20 0.40
PTPN5 P54829 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
KCNH2 Q12809 1/20 0.37
FYN P06241 1/20 0.36

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
SCHEMBL21239553 0.79 KCNN2 (0.38)
SCHEMBL18489595 0.77 BACE1 (0.41)
SCHEMBL1069878 0.77 BACE1 (0.41)
SCHEMBL19920167 0.76 HTR7 (0.64) HTR7CASRDRD2DRD4DRD3
SCHEMBL1758905 0.73 TAAR1 (0.37)
SCHEMBL1759325 0.73 HTR7 (0.55) HTR7CASRDRD2DRD4DRD3
SCHEMBL1638847 0.71 KAT6A (0.42) HTR7CASRPTPN5PTPRCPTPN1
SCHEMBL1638845 0.71 KAT6A (0.42) HTR7CASRPTPN5PTPRCPTPN1
SCHEMBL12726511 0.71 KAT6A (0.42) HTR7CASRPTPN5PTPRCPTPN1
SCHEMBL12806502 0.71 HTR7 (0.69) HTR7CASRDRD2DRD4DRD3

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-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed