SCHEMBL28809160

SCHEMBL28809160

N[C]1CCc2cc(F)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
MLNR O43193 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
KCNE1 P15382 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CNR1 P21554 1/20 0.37
SLC6A2 P23975 1/20 0.37
NPY1R P25929 1/20 0.37
HTR2C P28335 1/20 0.37
AVPR2 P30518 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL28491002 0.77 DRD2 (0.37) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL752211 0.77 ALDH2 (0.41) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL3790824 0.77 HTR2A (0.37) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL7114194 0.74 HTR2C (0.38) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL12937255 0.73 HRH3 (0.37) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL11094922 0.73 DRD2 (0.35) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL11094921 0.73 DRD2 (0.35) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL7675061 0.73 MAOA (0.46) DRD2HTR2AMLNRADRB2ADRB1
SCHEMBL29791452 0.69 MAPT (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL564862 0.69 MAPT (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728925-B Amine derivative serving as SSAO/VAP-1 inhibitor and application thereof 广东东阳光药业股份有限公司 2023-12-08 CN disclosed
CN-114728925-A Amine derivative serving as SSAO/VAP-1 inhibitor and application thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed