SCHEMBL29640596

SCHEMBL29640596

COc1cc2c(cc1Br)OCC(C)(C)C2N

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
HTR2A P28223 6/20 0.40
TP53 P04637 1/20 0.34
HTR2B P41595 2/20 0.33
HTR1A P08908 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL23362302 1.00 HTR2C (0.40) HTR2CHTR2ATP53HTR2BHTR1A
SCHEMBL29640648 0.79 KDM1A (0.43)
SCHEMBL23362293 0.79 KDM1A (0.43)
SCHEMBL28769524 0.78 ALDH1A1 (0.35) HTR2CHTR2ATP53
SCHEMBL23363277 0.76 TSHR (0.36) HTR2CHTR2ATP53
Hydrochloric Acid SCHEMBL23362530 0.74 HTR2C (0.42) HTR2CHTR2AHTR2B
SCHEMBL29640629 0.73 KDM1A (0.36)
SCHEMBL23362524 0.73 KDM1A (0.36)
SCHEMBL13198494 0.71 MAOA (0.38) HTR2CTP53HTR2BHTR1ASIGMAR1
SCHEMBL23362946 0.71 GRIN2D (0.38) HTR2CHTR2ATP53

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-114641477-A Novel compound having inhibitory activity against glucose ceramide synthase or pharmaceutically acceptable salt thereof, method for preparing same, and pharmaceutical composition comprising same 柳韩洋行 2022-06-17 CN disclosed