SCHEMBL11329969

SCHEMBL11329969

NCCCCCCCCCCCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.83
HTR2A P28223 4/20 0.83
TAAR1 Q96RJ0 1/20 0.52
SIGMAR1 Q99720 3/20 0.52
SLC7A5 Q01650 7/20 0.47
MAOA P21397 1/20 0.46
CYP19A1 P11511 1/20 0.46
TBXAS1 P24557 1/20 0.44

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
SCHEMBL5089222 1.00 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1SLC7A5
SCHEMBL29060377 1.00 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1SLC7A5
SCHEMBL1204774 1.00 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1SLC7A5
SCHEMBL2849801 1.00 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1SLC7A5
SCHEMBL2836377 1.00 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1SLC7A5
SCHEMBL11328616 1.00 HRH1 (0.83) HRH1HTR2ATAAR1SIGMAR1SLC7A5
Hydrochloric Acid SCHEMBL11757649 0.98 HRH1 (0.79) HRH1HTR2ATAAR1SIGMAR1SLC7A5
SCHEMBL4403161 0.98 HRH1 (0.86) HRH1HTR2ATAAR1SIGMAR1SLC7A5
SCHEMBL157808 0.91 HRH1 (1.00) HRH1HTR2ATAAR1SIGMAR1
Bromide SCHEMBL10687139 0.88 HRH1 (0.95) HRH1HTR2ATAAR1SIGMAR1

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-4292196-A Catalyst recovery UOP INC. (US) 1981-09-29 US disclosed