SCHEMBL8086800

SCHEMBL8086800

CSCC[C@H](N)C(=O)N(C)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
MARS1 P56192 2/20 0.38
CTSC P53634 1/20 0.37
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL7310000 0.85 FNTA (0.41) KMT2AFNTAFNTBPGGT1BCTSC
SCHEMBL7310455 0.82 HPGD (0.52) TDP1MEN1KMT2A
SCHEMBL11095433 0.77 AOC3 (0.44) TACR1AOC3
Diphenamide SCHEMBL8718305 0.77 MEN1 (0.44) TDP1MEN1KMT2AFNTAFNTB
SCHEMBL8086805 0.75 HTR2A (0.41) TACR1HTR2AHRH1TDP1AOC3
SCHEMBL7317840 0.73 CTSC (0.51) FNTAFNTBPGGT1BCTSC
SCHEMBL721685 0.73 HCAR2 (0.43) FNTAFNTBPGGT1BMARS1CTSC
SCHEMBL721686 0.73 HCAR2 (0.43) FNTAFNTBPGGT1BMARS1CTSC
SCHEMBL5847528 0.72 HTR2A (0.52) TACR1HTR2AHRH1TDP1AOC3
SCHEMBL7305453 0.72 CNR1 (0.57) FNTAFNTBPGGT1BCTSC

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed