SCHEMBL11544913

SCHEMBL11544913

CNCCCC1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SLC6A2 P23975 3/20 0.38
HTR2A P28223 3/20 0.38
HRH1 P35367 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL11541733 0.99 MEN1 (0.38) MEN1KMT2ASLC6A2HTR2AHRH1
SCHEMBL11543909 0.91 TAAR1 (0.37) MEN1KMT2ASLC6A2HTR2AHRH1
SCHEMBL11544153 0.82
SCHEMBL11545456 0.80 SLC6A2 (0.38) MEN1KMT2ASLC6A2HTR2AHRH1
SCHEMBL11543869 0.79 SLC6A2 (0.38) MEN1KMT2ASLC6A2HTR2AHRH1
SCHEMBL11544762 0.77 SLC6A4 (0.34) MEN1KMT2ASLC6A2HTR2ASLC6A3
SCHEMBL11544443 0.77 SLC6A2 (0.40) MEN1KMT2ASLC6A2HTR2AHRH1
SCHEMBL11544108 0.76 LTA4H (0.42) SLC6A3DRD2GAASIGMAR1SLC6A4
SCHEMBL11546820 0.75 SIGMAR1 (0.42) HTR2ACYP2D6L3MBTL1SLC6A3KDM4E
SCHEMBL11549621 0.75 SIGMAR1 (0.42) HTR2ACYP2D6L3MBTL1SLC6A3KDM4E

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
US-4172093-A Pharmacodynamically active indan derivatives AB KABI (SE) 1979-10-23 US claimed
US-4172093-A Pharmacodynamically active indan derivatives AB KABI (SE) 1979-10-23 US disclosed