SCHEMBL8140359

SCHEMBL8140359

COc1ccc(Br)cc1CCCCN

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.51
ADRA1A P35348 1/20 0.51
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46

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
SCHEMBL129993 0.88 TAAR1 (0.66) TAAR1ADRA1AHTR2AHTR2C
Bromide SCHEMBL778334 0.86 TAAR1 (0.64) TAAR1ADRA1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL3538524 0.86 TAAR1 (0.64) TAAR1ADRA1AHTR2AHTR2C
SCHEMBL2934176 0.83 KDM4E (0.48) KDM4ETDP1
SCHEMBL8593783 0.81 HTR2A (0.41) TAAR1ADRA1AHTR2AHTR2C
SCHEMBL1364667 0.80 KDM4E (0.54) TAAR1ADRA1AKDM4ETDP1
SCHEMBL3360919 0.80 KDM4E (0.48) KDM4ETDP1
SCHEMBL3356391 0.80 KDM4E (0.48) KDM4ETDP1
SCHEMBL28914589 0.80 ADRA1A (0.51) TAAR1ADRA1ASLC6A2SLC6A4SLC6A3
SCHEMBL14037603 0.79 KDM4E (0.53) KDM4ETDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037876-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS Novartis AG (CH) 2000-09-27 EP disclosed
WO-1999023073-A1 BIPHENYL DERIVATIVES AS PHARMACEUTICALS NOVARTIS AG (CH) 1999-05-14 WO disclosed