SCHEMBL22791998

SCHEMBL22791998

COc1cncc(NCc2cccc(N3CCNCC3)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.51
GUSB P08236 2/20 0.46
HTR7 P34969 3/20 0.46
HTR1A P08908 3/20 0.46
KARS1 Q15046 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
ACHE P22303 1/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
HRH1 P35367 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 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
SCHEMBL22792227 0.86 HRH1 (0.48) HTR2AHRH1ALDH1A1MAPTKDM4E
SCHEMBL22792714 0.80 KIT (0.43) ADRB1HTR7HTR1AHTR2AHTR2C
SCHEMBL22792004 0.80 ACHE (0.54) ACHEALDH1A1MAPT
SCHEMBL22792194 0.79 TSHR (0.50) ALDH1A1GAAMAPTHTTKDM4E
SCHEMBL22792188 0.77 BRAF (0.53)
SCHEMBL22792292 0.77 ALOX15 (0.44) ALDH1A1MAPTHTTKDM4E
SCHEMBL22791987 0.76 VNN1 (0.49) ALDH1A1MAPTKDM4E
SCHEMBL906005 0.73 HTR2C (0.63) ADRB1HTR7HTR1AHTR2AHTR2C
SCHEMBL22792355 0.73 PTGS2 (0.44) ALDH1A1MAPTHTT
SCHEMBL905869 0.73 CDK9 (0.50) ADRB1HTR7HTR1AHTR2AHTR2C

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed