SCHEMBL6199812

SCHEMBL6199812

Cc1cc(NC(=O)NCCN2CCC(NC(=O)c3ccc(F)cc3)CC2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.59
TMEM97 Q5BJF2 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
ADRA2A P08913 2/20 0.59
DRD2 P14416 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
SLC6A4 P31645 1/20 0.59
MCHR1 Q99705 4/20 0.51
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
SLC6A12 P48065 1/20 0.51
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL6199787 0.95 UTS2R (0.55) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6196741 0.94 UTS2R (0.64) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6195107 0.92 UTS2R (0.60) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6197552 0.91 UTS2R (0.58) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6199537 0.91 UTS2R (0.58) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6197596 0.91 UTS2R (0.60) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6197967 0.90 SIGMAR1 (0.60) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6198255 0.90 UTS2R (0.62) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6196063 0.89 UTS2R (0.57) UTS2RTMEM97SIGMAR1ADRA2ADRD2
SCHEMBL6197401 0.89 UTS2R (0.59) UTS2RTMEM97SIGMAR1ADRA2ADRD2

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