SCHEMBL15080461

SCHEMBL15080461

Cc1ccc(C2CCC(C(C)C)c3cc(CN)ccc32)cc1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
CFB P00751 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
SCHEMBL6946224 0.89 SLC6A2 (0.42) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6945398 0.84 SLC6A2 (0.52) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL15080463 0.78 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL15080462 0.74 SMN1; SMN2 (0.43)
SCHEMBL7969941 0.74 SMN1; SMN2 (0.43)
SCHEMBL13444094 0.72 SLC6A4 (0.65) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL7961378 0.70 SLC6A2 (0.39) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6953668 0.70 SLC6A4 (0.65) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL6946493 0.69 SLC6A2 (0.49) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL15046983 0.65 SLC6A2 (0.63) HTR2AHTR2CHTR2BSLC6A2SLC6A4

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-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed