SCHEMBL30160211

SCHEMBL30160211

c1cc(N2CCCCC2)c2cc[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.73
HTR6 P50406 1/20 0.73
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60
GAA P10253 6/20 0.56
MAPT P10636 3/20 0.55
GOT1 P17174 11/20 0.53
RECQL P46063 1/20 0.53
HTR1A P08908 1/20 0.51
MEN1 O00255 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8861994 1.00 ADRB1 (0.73) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL20581870 0.98 ADRB1 (0.75) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL1012802 0.84 ADRB1 (1.00) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL29941044 0.83 ADRB1 (0.69) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL9703840 0.83 ADRB1 (0.69) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL4306478 0.83 ADRB1 (0.69) ADRB1HTR6DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4662618 0.83 ADRB1 (0.97) ADRB1HTR6DRD2DRD4DRD3
SCHEMBL5430904 0.83 ADRB1 (0.69) ADRB1HTR6DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL6730585 0.83 ADRB1 (0.97) ADRB1HTR6DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5698349 0.81 ADRB1 (0.67) ADRB1HTR6DRD2DRD4DRD3

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
CN-115667218-A Kinase inhibitors GB005股份有限公司 2023-01-31 CN disclosed