SCHEMBL6197965

SCHEMBL6197965

O=C(NCCN1CCC(O)(c2ccc(Br)cc2)CC1)Nc1ccnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.52
DRD2 P14416 2/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HDAC8 Q9BY41 2/20 0.47
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL6198208 0.91 CCR3 (0.52) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6199149 0.85 UTS2R (0.71) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6198206 0.81 UTS2R (0.75) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL5527306 0.81 HRH3 (0.68) UTS2RHDAC8HRH3
SCHEMBL5735341 0.77 KMT2A (0.63) DRD2HDAC8DRD3KCNH2HRH3
SCHEMBL5735461 0.77 MAPT (0.57) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4859837 0.77 UTS2R (0.77) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4860568 0.77 UTS2R (0.73) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6196552 0.76 UTS2R (0.68) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL6196354 0.76 DRD2 (0.53) UTS2RDRD2ADRA2ASLC6A2HTR2A

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-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed