SCHEMBL22792172

SCHEMBL22792172

CCCCN1CCN(c2ccc(CC)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 0.53
DRD2 P14416 10/20 0.53
DRD4 P21917 8/20 0.53
HTR1A P08908 7/20 0.53
HTR2A P28223 7/20 0.53
HTR2C P28335 4/20 0.53
HTR7 P34969 4/20 0.53
DRD1 P21728 4/20 0.53
DRD5 P21918 4/20 0.53
SLC6A4 P31645 2/20 0.53
SIGMAR1 Q99720 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
POLB P06746 1/20 0.45
ADRA2C P18825 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL26707055 0.85 GAA (0.53) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL20230946 0.83 DRD3 (0.52) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL2759552 0.83 HRH4 (0.49) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL21673531 0.80 DRD3 (0.44) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL21477154 0.80 DRD3 (0.49) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL12217555 0.79 HRH3 (0.49) HRH3CYP1A2CYP2D6
SCHEMBL9908392 0.79 HRH3 (0.53) HRH3CYP1A2CYP2D6
SCHEMBL16256947 0.79 SMN1; SMN2 (0.57) DRD3DRD2DRD4HTR7DRD1
SCHEMBL12168263 0.79 HRH3 (0.54) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL13368493 0.78 RET (0.42) DRD3DRD2DRD4HTR1AHTR2A

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