SCHEMBL21760107

SCHEMBL21760107

Cc1ccc(N2CCNCC2)cc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.71
MAPT P10636 1/20 0.56
RECQL P46063 1/20 0.56
HTR7 P34969 4/20 0.54
HTR6 P50406 3/20 0.51
HTR3E A5X5Y0 5/20 0.50
HTR3B O95264 5/20 0.50
HTR3A P46098 5/20 0.50
HTR3D Q70Z44 5/20 0.50
HTR3C Q8WXA8 5/20 0.50
SIGMAR1 Q99720 5/20 0.50
HTR5A P47898 1/20 0.50
HTR1A P08908 4/20 0.49
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL14419500 0.86 ADRB1 (0.71) ADRB1MAPTRECQLHTR7HTR6
SCHEMBL6151312 0.84 ADRB1 (0.69) ADRB1MAPTRECQLHTR7HTR6
SCHEMBL6151880 0.84 ADRB1 (0.69) ADRB1MAPTRECQLHTR7HTR6
SCHEMBL221254 0.83 ADRB1 (1.00) ADRB1HTR7HTR6HTR3EHTR3B
SCHEMBL3343700 0.83 S100B (0.61) ADRB1MAPTRECQLTP53THRB
SCHEMBL8071214 0.83 MAPT (0.61) ADRB1MAPTRECQLHTR7HTR6
SCHEMBL20043806 0.81 S100B (0.65) ADRB1MAPTRECQLTP53THRB
SCHEMBL5206787 0.80 ADRB1 (0.63) ADRB1MAPTRECQLHTR7HTR6
SCHEMBL1527203 0.80 GAA (0.64) ADRB1MAPTRECQLHTR6HTR3A
SCHEMBL2984679 0.80 ADRB1 (0.73) ADRB1MAPTHTR7HTR6HTR3E

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-2020038415-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2020-02-27 WO disclosed