SCHEMBL21947692

SCHEMBL21947692

CSc1ccc2c(c1)CCN(C)C2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.55
MAOB P27338 4/20 0.55
DRD1 P21728 8/20 0.50
DRD5 P21918 8/20 0.50
SLC6A4 P31645 1/20 0.47
DRD2 P14416 6/20 0.43
DRD3 P35462 6/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DRD4 P21917 4/20 0.42

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
SCHEMBL20692240 0.84 MAOA (0.53) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL20892190 0.78 HTR2A (0.47) HTR2AHTR2CHTR2B
SCHEMBL6369708 0.78 HRH3 (0.48) DRD1DRD2DRD3HTR2AHTR2C
SCHEMBL23772573 0.77 NPC1 (0.48) HTR2AHTR2CHTR2B
SCHEMBL8483178 0.77 NPC1 (0.44) HTR2AHTR2CHTR2B
SCHEMBL20883600 0.76 ESR2 (0.64) HTR2AHTR2CHTR2B
SCHEMBL19480257 0.76 NOTUM (0.59) HTR2AHTR2CHTR2B
SCHEMBL22543812 0.76 CA7 (0.54) HTR2AHTR2CHTR2B
SCHEMBL2616785 0.76 MAOA (0.61) MAOAMAOBDRD1DRD5SLC6A4
SCHEMBL10350537 0.75 NOTUM (0.50) DRD2HTR2AHTR2CHTR2BDRD4

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed