SCHEMBL6500561

SCHEMBL6500561

Fc1c(Nc2cc3c4c(c2)C2CNCCC2N4CCOC3)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.41
HTR2B P41595 6/20 0.41
HTR2A P28223 6/20 0.41
PIK3CD O00329 1/20 0.32
PIK3C2B O00750 1/20 0.32
PIK3CG P48736 1/20 0.32
EGFR P00533 1/20 0.32
CNR2 P34972 1/20 0.32
EPHX2 P34913 1/20 0.31
FLT3 P36888 1/20 0.30

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
SCHEMBL6499878 1.00 HTR2C (0.41) HTR2CHTR2BHTR2APIK3CDPIK3C2B
SCHEMBL6783931 0.92 HTR2C (0.42) HTR2CHTR2BHTR2APIK3CDPIK3C2B
SCHEMBL6785120 0.86 HTR2C (0.40) HTR2CHTR2BHTR2A
SCHEMBL6783840 0.86 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL6505194 0.85 CNR2 (0.34) HTR2CHTR2BHTR2AEGFRCNR2
SCHEMBL6782654 0.85 HTR2C (0.42) HTR2CHTR2BHTR2ACNR2
SCHEMBL6503694 0.84 HTR2C (0.38) HTR2CHTR2BHTR2AEPHX2
SCHEMBL6490201 0.84 IDH2 (0.41) HTR2CHTR2BHTR2A
SCHEMBL6492420 0.83 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL6502381 0.83 CNR2 (0.35) HTR2BEGFRCNR2

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
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed