SCHEMBL25822333

SCHEMBL25822333

COCOc1cc(Br)c2c(CCF)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
HTR1A P08908 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR2C P28335 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
SCHEMBL25824423 0.89 HTR2A (0.33) HTR2AMTNR1AMTNR1BHTR1ASLC6A4
SCHEMBL23409334 0.82 CYP1A2 (0.35)
SCHEMBL29903159 0.82 CYP1A2 (0.35)
SCHEMBL29914173 0.81 NPC1 (0.33)
SCHEMBL23043033 0.81 NPC1 (0.33)
SCHEMBL23409337 0.79 GRM5 (0.36)
SCHEMBL29903155 0.79 GRM5 (0.36)
SCHEMBL29418746 0.78 GRM5 (0.33)
SCHEMBL22208168 0.78 GRM5 (0.33)
SCHEMBL25822397 0.77 LPL (0.32)

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
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed