SCHEMBL18329554

SCHEMBL18329554

CBc1cccc2c1N(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
DRD4 P21917 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ALOX12 P18054 1/20 0.36
NOTUM Q6P988 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
KMO O15229 1/20 0.34

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
SCHEMBL2625804 0.79 ALOX12 (0.50) DRD2MAOAMAOBDRD1DRD5
SCHEMBL2625796 0.73 NOTUM (0.57) DRD2MAOAMAOBDRD1DRD5
SCHEMBL21288160 0.73 MAOA (0.41) DRD2MAOAMAOBDRD1DRD5
SCHEMBL18329546 0.73 MAOA (0.41) DRD2MAOAMAOBDRD1DRD5
SCHEMBL23346676 0.73 DRD2 (0.41) DRD2MAOAMAOBDRD1DRD5
SCHEMBL23181523 0.73 DRD2 (0.41) DRD2MAOAMAOBDRD1DRD5
SCHEMBL2625787 0.73 MAOA (0.41) DRD2MAOAMAOBDRD1DRD5
SCHEMBL25251749 0.72 NOTUM (0.40) DRD2MAOAMAOBDRD1DRD5
SCHEMBL10264825 0.70 DRD2 (0.44) DRD2MAOAMAOBDRD1DRD5
SCHEMBL10204221 0.70 KMO (0.40) DRD2MAOAMAOBDRD1DRD5

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-2016204153-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE 宇部興産株式会社 2016-12-22 WO disclosed