SCHEMBL6805894

SCHEMBL6805894

COc1cccc(NC(=O)C(=O)c2c3n(c4ccccc24)CCNCC3)c1.O=C(Nc1cccc(C(F)(F)F)c1)C(=O)c1c2n(c3ccccc13)CCNCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 4/20 0.43
REN P00797 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
GRIN2B Q13224 1/20 0.40
IDH1 O75874 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6712463 0.93 HTR2A (0.59) HTR2AHTR2CMAPTRXFP1REN
SCHEMBL6718449 0.93 HTR2A (0.57) HTR2AHTR2CNPC1HTTSMN1; SMN2
SCHEMBL6715495 0.83 HTR2A (0.60) HTR2AHTR2CMAPTNPC1SMN1; SMN2
SCHEMBL6714643 0.81 HTR2A (0.60) HTR2AHTR2CRENNPC1MEN1
SCHEMBL6715343 0.79 HTR2A (0.69) HTR2AHTR2CRENNPC1POLB
SCHEMBL6712421 0.79 HTR2A (0.60) HTR2AHTR2CTP53MAPTNPC1
SCHEMBL6718713 0.79 HTR2A (0.55) HTR2AHTR2CRENNPC1MEN1
SCHEMBL6711345 0.79 HTR2A (0.57) HTR2AHTR2CTP53MAPTRXFP1
SCHEMBL6712411 0.78 HTR2A (0.54) HTR2AHTR2CTP53MAPTPOLB
SCHEMBL6710856 0.78 HTR2A (0.61) HTR2AHTR2CMAPTNPC1POLB

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-6734301-B2 5-HT LIGANDS USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2004-05-11 US claimed