SCHEMBL18994366

SCHEMBL18994366

Cc1ccn(CCC(C)(C)Cc2cc(C)n(CCC(C)(C)C)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.35
HTR2A P28223 3/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
DRD2 P14416 1/20 0.31
HRH1 P35367 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6967167 0.80 DRD2 (0.37) HTR2ASLC6A4DRD2HRH1LMNA
SCHEMBL18994464 0.79 GLS (0.43) GLSLMNA
SCHEMBL12788682 0.70 GLS (0.60) GLSLMNA
SCHEMBL23080253 0.69 GLS (0.32) GLS
SCHEMBL24967869 0.68 EPHX2 (0.34)
SCHEMBL21025402 0.68 EPHX2 (0.34)
SCHEMBL23985340 0.66 DRD2 (0.39) HTR2ASLC6A4DRD2HRH1
SCHEMBL12165181 0.63 GAA (0.38) HTR2ASLC6A4DRD2HRH1
SCHEMBL1764531 0.63
SCHEMBL21325428 0.63 SLC6A2 (0.36) SLC6A4

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-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed