SCHEMBL2808009

SCHEMBL2808009

CCCn1ncc2c(Nc3ccc(NC(=O)c4ccc(F)cc4)cc3)nc(N3CCCC3)nc21

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.60
CTNNB1 P35222 11/20 0.52
TCF7L2 Q9NQB0 11/20 0.52
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL2856618 0.83 CTNNB1 (0.46) HTR2CCTNNB1TCF7L2SIGMAR1
SCHEMBL2882852 0.78 HTR2C (0.61) HTR2C
SCHEMBL2856457 0.78 PIK3CA (0.52) HTR2C
SCHEMBL2786916 0.77 PIK3CA (0.51) HTR2C
SCHEMBL2805981 0.77 HTR2C (0.98) HTR2C
SCHEMBL2807509 0.76 SRC (0.54) HTR2C
SCHEMBL3755710 0.76 HTR2C (1.00) HTR2C
SCHEMBL2807570 0.74 PIK3CA (0.56) HTR2C
SCHEMBL13947563 0.73 HTR2C (0.83) HTR2C
SCHEMBL2859459 0.73 HTR2C (0.49) HTR2C

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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed