SCHEMBL29901581

SCHEMBL29901581

COCCN1C(=O)COc2cc(F)c(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.44
TSHR P16473 1/20 0.43
CHRM1 P11229 2/20 0.42
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
THRB P10828 1/20 0.38
KMO O15229 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 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
SCHEMBL10592910 0.87 CHRM1 (0.45) RENCHRM1BRD4CHRM5CHRM3
SCHEMBL8602365 0.86 CHRM1 (0.47) RENTSHRCHRM1CHRM5CHRM3
SCHEMBL8600207 0.85 RORC (0.43) TSHRCHRM1CHRM5CHRM3
SCHEMBL29901589 0.84 CHRM1 (0.43) TSHRCHRM1CHRM5CHRM3KMO
SCHEMBL8599840 0.84 CHRM1 (0.51) RENCHRM1CHRM5CHRM3DRD2
SCHEMBL8598261 0.82 CHRM1 (0.50) RENCHRM1CHRM5CHRM3
SCHEMBL29901598 0.82 CHRM1 (0.46) RENCHRM1CHRM5CHRM3KMO
SCHEMBL16526456 0.80 REN (0.45) RENTSHRCHRM1BRD4KDM4E
SCHEMBL8878855 0.80 CHRM1 (0.41) TSHRCHRM1CHRM5CHRM3
SCHEMBL23577961 0.79 KDM4E (0.49) RENTSHRCHRM1KDM4ETHRB

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
CN-113200985-B Pteridinone compound and preparation method and application thereof 南开大学 2022-09-09 CN disclosed