SCHEMBL9224416

SCHEMBL9224416

[CH2]C(CCCCN)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.57
HTR2A P28223 2/20 0.57
MAOA P21397 1/20 0.43
SLC7A5 Q01650 9/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL4403161 0.80 HRH1 (0.86) HRH1HTR2AMAOASLC7A5TAAR1
SCHEMBL8157930 0.79 HRH1 (0.38) HRH1HTR2ATAAR1CYP2C19
SCHEMBL1024126 0.79 SIGMAR1 (0.44) HRH1HTR2A
SCHEMBL3020787 0.78 HRH1 (0.40) HRH1HTR2ATAAR1TSHRCYP2C19
SCHEMBL1204774 0.78 HRH1 (0.83) HRH1HTR2AMAOASLC7A5TAAR1
SCHEMBL2836377 0.78 HRH1 (0.83) HRH1HTR2AMAOASLC7A5TAAR1
SCHEMBL2849801 0.78 HRH1 (0.83) HRH1HTR2AMAOASLC7A5TAAR1
SCHEMBL11328616 0.78 HRH1 (0.83) HRH1HTR2AMAOASLC7A5TAAR1
SCHEMBL5089222 0.78 HRH1 (0.83) HRH1HTR2AMAOASLC7A5TAAR1
SCHEMBL29060377 0.78 HRH1 (0.83) HRH1HTR2AMAOASLC7A5TAAR1

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-5470834-A Metalloproteinase enzyme inhibitors for arthritis, rheumatism and cancers FLORIDA STATE UNIVERSITY (US) 1995-11-28 US disclosed