SCHEMBL30727490

SCHEMBL30727490

CCc1c2n(c3ncc(C(F)(F)F)cc13)[C@H](C)CNC2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL30104795 0.77 PSEN1 (0.35) HTR2AHTR2C
SCHEMBL30727493 0.72 CXCR3 (0.31)
SCHEMBL30104859 0.66 PSEN1 (0.32)
SCHEMBL24640273 0.66 NR3C1 (0.33)
SCHEMBL30104836 0.64 PARP1 (0.38)
SCHEMBL31713174 0.63 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL24639703 0.63 HTR2C (0.43) HTR2AHTR2C
SCHEMBL31569146 0.62 HTR2A (0.33) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL29731593 0.62 HTR2A (0.45) HTR2AHTR2CHTR2B
SCHEMBL30104820 0.61 ADRB1 (0.35) HTR2AHTR2C

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-117430606-A Sulfonamide PARP7 inhibitors 山东轩竹医药科技有限公司 2024-01-23 CN disclosed