SCHEMBL30104854

SCHEMBL30104854

FC(F)(F)c1cc2cc3n(c2cn1)CCNC3

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.49
▸ HTR2A P28223 8/20 0.49
▸ ADRB1 P08588 3/20 0.37
▸ ADRB2 P07550 2/20 0.33
▸ SCN9A Q15858 2/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ SCN7A Q01118 1/20 0.31
▸ QRFPR Q96P65 1/20 0.31

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
SCHEMBL30104846 0.75 HTR2C (0.49) HTR2CHTR2AADRB1ADRB2SCN9A
SCHEMBL30104796 0.74 HTR2C (0.62) HTR2CHTR2AADRB1ADRB2HTR2B
SCHEMBL3983638 0.74 HTR2A (0.58) HTR2CHTR2A
SCHEMBL30104810 0.73 HRH3 (0.42) —
SCHEMBL24640538 0.72 HTR2C (0.42) HTR2CHTR2AADRB1ADRB2SCN9A
SCHEMBL4705406 0.69 HTR2A (0.68) HTR2CHTR2AKCNH2
SCHEMBL3155248 0.69 HTR2C (0.69) HTR2CHTR2ASCN9ASCN10AKCNH2
SCHEMBL411656 0.68 HTR2A (0.36) HTR2CHTR2AADRB1HTR2B
Hydrochloric Acid SCHEMBL14956768 0.67 HTR2A (0.35) HTR2CHTR2AADRB1ADRB2HTR2B
SCHEMBL5917457 0.67 HTR2C (0.60) HTR2CHTR2AADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 — — CN disclosed
WO-2022247839-A1 PARP7 INHIBITOR 山东轩竹医药科技有限公司 2022-12-01 — — WO disclosed
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