SCHEMBL7667295

SCHEMBL7667295

CC(C)(C)OC(=O)n1ccc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3N(C(=O)C3CCNCC3)c3ccncc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
TYRO3 Q06418 1/20 0.32
KIF18A Q8NI77 2/20 0.31
KHK P50053 1/20 0.30
KCNH2 Q12809 1/20 0.30
PTPRB P23467 1/20 0.30
PTPN11 Q06124 1/20 0.30
TYK2 P29597 1/20 0.30
ATM Q13315 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
SCHEMBL7661475 0.86 MAPT (0.36) HTR1AKHKKCNH2
SCHEMBL6168838 0.79 GPR119 (0.31) HTR1AHTR7HTR2BHTR6GPR119
SCHEMBL6168757 0.77 F10 (0.43)
SCHEMBL6170090 0.77 F10 (0.41)
SCHEMBL6170084 0.77 GPR119 (0.36) GPR119KIF18A
SCHEMBL7089068 0.75 GPR119 (0.36) GPR119KIF18A
SCHEMBL7368537 0.75 RXFP2 (0.40) TYRO3KIF18A
SCHEMBL6168830 0.73 F10 (0.36) GPR119KIF18A
SCHEMBL6171161 0.70 NR1H4 (0.45)
SCHEMBL6173478 0.70 F10 (0.47)

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-6372759-B1 BLOOD COAGULATION FACTOR XA FOR MAMMALS ELI LILLY AND COMPANY 2002-04-16 US disclosed