SCHEMBL4797396

SCHEMBL4797396

Cc1nc2c(C#N)c(C)c(-c3ccccc3)c(N3CC[C@H](N(C)C)C3)c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.40
HTR3A P46098 2/20 0.40
HTR6 P50406 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
MAPK8 P45983 2/20 0.40
BTK Q06187 2/20 0.40
MRGPRX2 Q96LB1 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1B P28222 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPK10 P53779 1/20 0.39
CHEK2 O96017 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
MCHR1 Q99705 1/20 0.34
ADRA2A P08913 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
SCHEMBL3297327 0.91 HTR1D (0.39) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295916 0.91 HTR1D (0.39) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3294469 0.91 HTR1D (0.39) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3301498 0.90 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3297029 0.89 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL4440811 0.89 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295980 0.89 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3294312 0.89 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295810 0.89 HTR1D (0.38) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3297857 0.88 HTR1D (0.37) HTR1DHTR3AHTR6TMEM97MAPK8

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-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP disclosed