SCHEMBL12450081

SCHEMBL12450081

C#CCC1CCc2cc(Br)ccc2N1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 8/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ PYCR1 P32322 2/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.33
▸ MTNR1A P48039 3/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL6192806 0.80 PNMT (0.37) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL6192228 0.80 PNMT (0.50) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL12450086 0.76 PNMT (0.35) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL2321696 0.74 HTR7 (0.38) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL30294039 0.72 PNMT (0.45) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL31511298 0.72 PNMT (0.45) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL17018035 0.72 PNMT (0.45) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL16585592 0.72 PNMT (0.45) PNMTADRA2AADRA2BADRA2CESR1
SCHEMBL2779601 0.71 MTNR1A (0.39) PNMTADRA2AADRA2BADRA2CMTNR1A
SCHEMBL2777471 0.71 PNMT (0.38) PNMTADRA2AADRA2BADRA2CMTNR1A

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-2011097946-A1 OXAZOLIDINONE COMPOUNDS CONTAINING RING-FUSED BICYCLIC RING, PREPARATION METHOD AND USE THEREOF 山东轩竹医药科技有限公司 (CN) 2011-08-18 — — WO disclosed
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