SCHEMBL31377396

SCHEMBL31377396

COc1ccc2c(c1)C(CCN(C)C)CN2C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.61
CACNA1S Q13698 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL26639695 1.00 HTR6 (0.61) HTR6CACNA1SHTR2AHTR2CKDM4E
SCHEMBL26602676 1.00 HTR6 (0.61) HTR6CACNA1SHTR2AHTR2CKDM4E
SCHEMBL26639706 1.00 HTR6 (0.61) HTR6CACNA1SHTR2AHTR2CKDM4E
SCHEMBL26644527 0.87 HTR6 (0.52) HTR6
SCHEMBL26644533 0.87 HTR6 (0.52) HTR6
SCHEMBL26644519 0.86 HTR6 (0.50) HTR6
SCHEMBL26644996 0.84 HTR6 (0.59) HTR6CACNA1SHTR2AHTR2C
SCHEMBL26644779 0.84 HTR6 (0.59) HTR6CACNA1SHTR2AHTR2C
SCHEMBL26644998 0.83 HTR6 (0.58) HTR6CACNA1SHTR2AHTR2C
SCHEMBL26645824 0.83 HTR6 (0.58) HTR6CACNA1SHTR2AHTR2C

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-119522212-A Indoline derivatives as serotonergic agents for the treatment of related disorders 思维模式制药公司 2025-02-25 CN disclosed