SCHEMBL11035915

SCHEMBL11035915

C=CCN1Cc2c(N)cccc2C(CCCCC)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
ADRA1A P35348 2/20 0.36
RGS12 O14924 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
GNAI1 P63096 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.33
GLA P06280 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
SCHEMBL29117084 0.69 SIGMAR1 (0.43) SIGMAR1
SCHEMBL29117081 0.69 SIGMAR1 (0.43) SIGMAR1
SCHEMBL29117066 0.69 SIGMAR1 (0.43) SIGMAR1
SCHEMBL4199458 0.67 ADRA1D (0.57) LMNAADRA1AOPRM1ADRA1DADRA1B
SCHEMBL4026711 0.65 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3LMNAMAPK1
SCHEMBL29117072 0.65 CES2 (0.37) SLC6A2SLC6A4CYP1A2HTR2APOLB
SCHEMBL28989831 0.64 CYSLTR2 (0.38) SLC6A2SLC6A4CYP1A2HTR2APOLB
SCHEMBL30192016 0.64 CES2 (0.36) SLC6A2SLC6A4CYP1A2HTR2APOLB
SCHEMBL11035918 0.62
SCHEMBL5598037 0.62 ADRA1D (0.37) LMNAADRA1ACYP2D6MEN1PMP22

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-4537895-A 4-PHENYL, 8-CARBONYLAMINO DERIVATIVES FOR CENTRAL NERVOUS SYSTEM DISORDERS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1985-08-27 US disclosed