SCHEMBL4850672

SCHEMBL4850672

Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc([C@H]3C[C@@H]3C(N)=O)nc2c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.34
HTR1D P28221 2/20 0.34
HTR3A P46098 2/20 0.34
HTR6 P50406 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
MAPK8 P45983 2/20 0.34
BTK Q06187 2/20 0.34
MRGPRX2 Q96LB1 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1B P28222 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ADRA1B P35368 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
MAPK10 P53779 1/20 0.33
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 3/20 0.33
NR4A2 P43354 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL4850666 1.00 MCHR1 (0.34) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3294083 0.94 RXRA (0.38) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3294079 0.94 RXRA (0.38) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3293484 0.89 NAPEPLD (0.34) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3301498 0.85 HTR1D (0.38) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3297857 0.84 HTR1D (0.37) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3301871 0.84 HRH3 (0.37) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3295304 0.83 MCHR1 (0.36) MCHR1HTR1DHTR3AHTR6TMEM97
SCHEMBL3297327 0.83 HTR1D (0.39) HTR1DHTR3AHTR6TMEM97MAPK8
SCHEMBL3295916 0.83 HTR1D (0.39) 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