SCHEMBL27839366

SCHEMBL27839366

Cc1ccc2c(c1-c1ccccc1CN)C=C(Br)C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
DPP4 P27487 2/20 0.38
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL2234205 0.81 ALDH1A1 (0.34) DPP4
SCHEMBL2235892 0.79 DHFR (0.40)
SCHEMBL2235659 0.77 AKT2 (0.31)
SCHEMBL27839289 0.75 DPP4 (0.39) PNMTDPP4NOS3NOS1NOS2
SCHEMBL2236464 0.75 ALDH1A1 (0.34) TAAR1
SCHEMBL2235082 0.70 NPC1 (0.30)
SCHEMBL2237566 0.70 IKBKB (0.40)
SCHEMBL2234221 0.70 MEN1 (0.31)
SCHEMBL3790037 0.69 DPP4 (0.52) PNMTDPP4NOS3NOS1NOS2
SCHEMBL27857041 0.69

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-102245620-A Metallocene complex and method for polymerizing olefin JAPAN POLYPROPYLENE CORP 2011-11-16 CN disclosed