SCHEMBL11065217

SCHEMBL11065217

O=C(CCC(=O)c1ccc(Br)cc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.60
FPR2 P25090 2/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPBWR1 P48145 1/20 0.51
MCHR1 Q99705 1/20 0.51
MMP2 P08253 2/20 0.49
ECE1 P42892 1/20 0.49
LMNA P02545 1/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
PTPN1 P18031 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49

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
SCHEMBL11069816 0.90 ACE (0.71) ACEECE1LMNANAALAD2
SCHEMBL11064886 0.89 ACE (0.62) ACEMMP2ECE1LMNAMMP9
SCHEMBL11067560 0.87 ACE (0.60) ACEMEN1KMT2AECE1LMNA
SCHEMBL11068248 0.84 FPR2 (0.61) ACEFPR2MEN1KMT2AMMP1
SCHEMBL17624790 0.80 NAALAD2 (0.68) ACELMNANAALAD2
SCHEMBL17261298 0.80 NAALAD2 (0.68) ACELMNANAALAD2
SCHEMBL11063947 0.80 ACE (0.60) ACEECE1LMNANAALAD2
SCHEMBL31006612 0.79 ITGB1 (0.56) ACEFPR2MMP2MMP1MMP3
SCHEMBL2806565 0.78 FAAH (0.67) ACENAALAD2
SCHEMBL2806570 0.78 FAAH (0.67) ACENAALAD2

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-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed