SCHEMBL27338595

SCHEMBL27338595

Cc1ccc2c(CN(C)C)cn(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ICMT O60725 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ SLC6A4 P31645 6/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NR1D1 P20393 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL3353333 0.82 HTR6 (0.46) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL13888165 0.81 CDK2 (0.44) HTR2ALMNAHTTMAPTGPR84
SCHEMBL9919108 0.80 BRD9 (0.48) MAPTICMTSLC6A4TDP1
SCHEMBL20910199 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL13537350 0.78 HTR2A (0.41) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL24144470 0.78 CDK2 (0.45) HTR2ALMNAHTTHPGDMAPT
SCHEMBL10261961 0.77 GPR84 (0.67) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL18404868 0.77 HTR2A (0.63) HTR2AHTR2CGPR84CDK2HTR6
SCHEMBL1094415 0.77 GPR84 (0.43) HTR2ALMNAHTTHPGDMAPT
SCHEMBL8434401 0.75 IMPDH2 (0.39) HTR2ALMNAHTTHPGDMAPT

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-2024006403-A2 SELECTIVE HISTONE DEACETYLASE 8 (HDAC8) DEGRADERS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-04 — — WO disclosed
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