SCHEMBL3962423

SCHEMBL3962423

CCCc1cccc(C(C)C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRB2 P47870 3/20 0.39
TSHR P16473 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 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
SCHEMBL3962086 0.89 SOAT1 (0.39) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL22081599 0.85 TSHR (0.48) GABRA1GABRB2TSHRHPGDADRA2A
SCHEMBL29631719 0.84 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL770339 0.84 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL5575889 0.82 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL2155003 0.81 GABRA1 (0.39) GABRA1GABRB2DAOELANE
SCHEMBL4843352 0.79 ADRA2A (0.46) GABRA1GABRG2GABRB3GABRB2TSHR
Propane SCHEMBL27557470 0.79 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL21056164 0.78 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL22415013 0.78 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2TSHR

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
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
JP-2005068066-A METHOD FOR PURIFYING 2,6-DIISOPROPYLANILINE AIR WATER CHEMICAL INC 2005-03-17 JP disclosed