SCHEMBL24763584

SCHEMBL24763584

Clc1cnc2c(c1)OC[C@@H]1CNCCN21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.43
HTR2A P28223 15/20 0.43
HTR2B P41595 14/20 0.43
TIPARP Q7Z3E1 1/20 0.38

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
SCHEMBL31244683 1.00 HTR2C (0.43) HTR2CHTR2AHTR2BTIPARP
SCHEMBL31244734 0.87 HTR2C (0.47) HTR2CHTR2AHTR2BTIPARP
SCHEMBL31244842 0.87 HTR2C (0.47) HTR2CHTR2AHTR2BTIPARP
SCHEMBL24640721 0.87 HTR2C (0.47) HTR2CHTR2AHTR2BTIPARP
SCHEMBL26915008 0.84 HTR2C (0.40) HTR2CHTR2AHTR2B
SCHEMBL24764605 0.84 HTR2C (0.40) HTR2CHTR2AHTR2B
SCHEMBL29841692 0.84 HTR2C (0.40) HTR2CHTR2AHTR2B
SCHEMBL24763872 0.82 HTR2A (0.42) HTR2CHTR2AHTR2B
SCHEMBL31244645 0.82 HTR2A (0.42) HTR2CHTR2AHTR2B
SCHEMBL31244740 0.82 CHRNB2 (0.40) HTR2CHTR2AHTR2B

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-2022184103-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉誉祥医药科技有限公司 2022-09-09 WO disclosed