SCHEMBL6199787

SCHEMBL6199787

Cc1cc(NC(=O)NCCN2CCC(NC(=O)c3ccc(F)cc3)C2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 3/20 0.55
DRD2 P14416 3/20 0.55
TMEM97 Q5BJF2 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
SLC6A4 P31645 1/20 0.55
DRD4 P21917 2/20 0.50
CCR3 P51677 2/20 0.47
MCHR1 Q99705 3/20 0.47
SLC6A12 P48065 1/20 0.47
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
CACNA1H O95180 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL6199812 0.95 UTS2R (0.59) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6197401 0.94 UTS2R (0.59) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6194976 0.93 UTS2R (0.56) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6195133 0.91 UTS2R (0.55) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6199808 0.91 UTS2R (0.55) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6199511 0.91 UTS2R (0.56) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6195622 0.90 UTS2R (0.56) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6197610 0.90 UTS2R (0.58) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6199235 0.90 UTS2R (0.53) UTS2RDRD2TMEM97SIGMAR1ADRA2A
SCHEMBL6210485 0.89 UTS2R (0.55) UTS2RDRD2TMEM97SIGMAR1ADRA2A

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