SCHEMBL203278

SCHEMBL203278

N[C@@H](CCNC(=O)O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
MMP8 P22894 2/20 0.46
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
TSHR P16473 2/20 0.45
CNR2 P34972 1/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP1A2 P05177 1/20 0.45
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13407124 0.86 RAB9A (0.62) LMNAKMT2A
SCHEMBL3508825 0.85 MMP2 (0.55) ANPEPPKMRNPEPDNPEP
SCHEMBL4343821 0.85 MMP2 (0.51) ANPEPERAP1ERAP2MMP8METAP2
SCHEMBL2637087 0.85 MMP2 (0.51) ANPEPERAP1ERAP2MMP8METAP2
SCHEMBL4343818 0.85 MMP2 (0.51) ANPEPERAP1ERAP2MMP8METAP2
SCHEMBL893147 0.81 TSHR (0.50) LMNAPKMMMP8TSHRCNR2
SCHEMBL4895850 0.80 EPHX1 (0.56) ANPEPERAP1ERAP2LMNATSHR
Phenethylcarbamic Acid SCHEMBL249525 0.78 CA12 (0.68) CA12CA2CA9
SCHEMBL5326561 0.77 S1PR2 (0.65) ANPEPERAP1ERAP2
SCHEMBL288869 0.77 S1PR2 (0.65) ANPEPERAP1ERAP2

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
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed