SCHEMBL11544108

SCHEMBL11544108

C1=C(CCCN2CCCC2)c2ccccc2C12CCCC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
SIGMAR1 Q99720 9/20 0.41
GAA P10253 1/20 0.40
SLC6A3 Q01959 2/20 0.38
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
TMEM97 Q5BJF2 2/20 0.37
GRIN2B Q13224 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL11549621 0.99 SIGMAR1 (0.42) LTA4HSIGMAR1GAASLC6A3DRD2
SCHEMBL11546820 0.99 SIGMAR1 (0.42) LTA4HSIGMAR1GAASLC6A3DRD2
SCHEMBL11546197 0.90 SIGMAR1 (0.43) SIGMAR1TMEM97
SCHEMBL11544153 0.81
SCHEMBL11545446 0.81 SIGMAR1 (0.43) LTA4HSIGMAR1SLC6A3TMEM97HRH3
SCHEMBL11544762 0.76 SLC6A4 (0.34) SLC6A3SLC6A4GRIN2B
SCHEMBL11545456 0.76 SLC6A2 (0.38) SIGMAR1SLC6A3DRD2SLC6A4HRH3
SCHEMBL11544913 0.76 MEN1 (0.39) SIGMAR1GAASLC6A3DRD2SLC6A4
SCHEMBL11541733 0.75 MEN1 (0.38) SIGMAR1GAASLC6A3DRD2SLC6A4
SCHEMBL11543869 0.75 SLC6A2 (0.38) SIGMAR1SLC6A3DRD2SLC6A4HRH3

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