SCHEMBL18940705

SCHEMBL18940705

CCC(C)(c1ccccc1)C(C)(CC)c1ccccc1.N#CC(c1ccccc1)(c1ccccc1)C(C#N)(c1ccccc1)c1ccccc1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
ATM Q13315 1/20 0.40
EBP Q15125 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.34
TP53 P04637 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.33
KCNA3 P22001 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
SCHEMBL296760 0.75 ATM (0.43) DRD2DRD4OPRM1DRD3ATM
SCHEMBL474982 0.75 TAAR1 (0.50) CYP3A4TP53
SCHEMBL28218980 0.75 DRD2 (0.54) DRD2DRD4OPRM1DRD3ATM
SCHEMBL8655165 0.74 CYP2D6 (0.42) DRD2DRD4OPRM1DRD3ATM
SCHEMBL18419705 0.71 TAAR1 (0.46) CYP3A4TP53
SCHEMBL28827192 0.70 CYP2D6 (0.40) DRD2DRD4OPRM1DRD3ATM
SCHEMBL6160241 0.69 TAAR1 (0.44) LMNACYP3A4TP53
SCHEMBL22728397 0.69 OPRM1 (0.44) DRD2DRD4OPRM1DRD3ATM
SCHEMBL10871195 0.69 CYP2D6 (0.40) DRD2DRD4OPRM1DRD3ATM
Acetonitrile SCHEMBL28305683 0.69 MAOB (0.56) ATMMAOAMAOBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170165940-A1 LAMINATE AND METHOD OF PRODUCTION OF BUILT-UP BOARD ZEON CORPORATION (JP) 2017-06-15 US disclosed