SCHEMBL11044632

SCHEMBL11044632

Clc1ccc(C2(CBr)CO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KDM1A O60341 1/20 0.39
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 4/20 0.37
CHRNA1 P02708 2/20 0.37
CHRNG P07510 2/20 0.37
CHRNB1 P11230 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRND Q07001 2/20 0.37
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL10638461 0.81 UTS2R (0.38) UTS2RMAOAMAOBKDM1ASLC6A4
SCHEMBL9667369 0.79 SLC6A4 (0.41) UTS2RMAOAMAOBKDM1ASLC6A4
SCHEMBL10876682 0.79 SLC6A4 (0.40) UTS2RKDM1ASLC6A4SLC6A3SLC6A2
SCHEMBL7787371 0.77 HTR2C (0.43) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL10434640 0.76 UTS2R (0.35) UTS2RMAOAMAOBKDM1ASLC6A4
SCHEMBL8807095 0.76 UTS2R (0.38) UTS2RMAOAMAOBSLC6A4SLC6A3
SCHEMBL866796 0.75 SLC6A3 (0.37) UTS2RMAOAMAOBKDM1ASLC6A4
SCHEMBL10594591 0.74 ALDH1A1 (0.37) UTS2RMAOAMAOBKDM1ASLC6A4
SCHEMBL117206 0.73 MAOA (0.38) UTS2RMAOAMAOBKDM1ASLC6A4
SCHEMBL11273687 0.73 UTS2R (0.40) UTS2RSLC6A4SLC6A3SLC6A2CHRNA1

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
EP-0122452-A1 Triazolyl- and imidazolyl-substituted fluoroalkane derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-10-24 EP disclosed