SCHEMBL16495175

SCHEMBL16495175

NCCc1c[nH]c2ccc(CNc3ncc(Cc4ccc5[nH]ccc5c4)c(N)n3)cc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.49
HTR2C P28335 3/20 0.49
HTR1D P28221 4/20 0.44
HTR1B P28222 4/20 0.44
LTA4H P09960 1/20 0.41
PLA2G2A P14555 1/20 0.41
HTR2A P28223 2/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL16494785 0.91 HTR2C (0.42) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL16494541 0.89 HTR1A (0.52) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL16494650 0.88 HTR1A (0.39) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL16494871 0.88 HTR1A (0.42) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL16494258 0.87 HTR1A (0.41) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL16495045 0.87 HTR1A (0.40) HTR1AHTR2CHTR2A
SCHEMBL2598672 0.84 MC5R (0.46) HTR1AHTR2A
SCHEMBL16495336 0.84 HTR6 (0.43) HTR1AHTR2A
SCHEMBL14839993 0.84 HTR2A (0.42) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL14839726 0.84 MPO (0.47) HTR1AHTR2ATRPM8MPO

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-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 EP disclosed