SCHEMBL31022397

SCHEMBL31022397

c1cnc2c(c1)COCC1CNCCN21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.66
HTR2B P41595 20/20 0.66
HTR2A P28223 19/20 0.66

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
SCHEMBL26915044 1.00 HTR2C (0.66) HTR2CHTR2BHTR2A
SCHEMBL5222499 0.82 HTR2C (0.74) HTR2CHTR2BHTR2A
SCHEMBL19878804 0.80 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL29528033 0.80 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL19878802 0.80 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL31022150 0.78 HTR2A (0.58) HTR2CHTR2BHTR2A
SCHEMBL26914996 0.78 HTR2A (0.58) HTR2CHTR2BHTR2A
SCHEMBL26914964 0.78 HTR2C (0.52) HTR2CHTR2BHTR2A
SCHEMBL692196 0.78 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL27223066 0.75 HTR2C (0.54) HTR2CHTR2BHTR2A

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-118459483-A Fused tricyclic compounds, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-08-09 CN disclosed