SCHEMBL27705019

SCHEMBL27705019

CC(C)(C[C@H]1Cc2ccc(Br)cc2C1)OC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38
AAK1 Q2M2I8 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PRMT5 O14744 1/20 0.34
MCHR1 Q99705 2/20 0.33
OPRM1 P35372 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
HSD17B3 P37058 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL27705006 1.00 PNMT (0.38) PNMTADRA2AADRA2BADRA2CAAK1
SCHEMBL27942623 0.77 SRD5A1 (0.38)
SCHEMBL27696936 0.77 SRD5A1 (0.38)
SCHEMBL27617880 0.74 POLB (0.31) AAK1
SCHEMBL27771662 0.73 ATM (0.31)
SCHEMBL27689519 0.72 PNMT (0.40) PNMTADRA2AADRA2BADRA2CPRMT5
SCHEMBL22534289 0.72 ACACB (0.47) AAK1
SCHEMBL28033884 0.71 ATM (0.30)
SCHEMBL27493732 0.70 THRA (0.39)
SCHEMBL23306121 0.70 ITGB3 (0.39) PNMTADRA2AADRA2BADRA2CMCHR1

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-101039900-A 6-amino(aza)indane compounds suitable for treating disorders that respond to modulation of the dopamine d3 receptor ABBOTT GMBH & CO KG (DE) 2007-09-19 CN disclosed