SCHEMBL10872017

SCHEMBL10872017

O=C(CC(Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.50
▸ LTA4H P09960 1/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MME P08473 2/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ MMP1 P03956 2/20 0.40
▸ FCER2 P06734 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39

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
SCHEMBL10570975 0.96 HRH4 (0.47) HRH4LTA4HKMT2AMEN1MMP2
SCHEMBL10570967 0.96 HRH4 (0.47) HRH4LTA4HKMT2AMEN1MMP2
SCHEMBL10522999 0.93 KMT2A (0.44) HRH4LTA4HKMT2AMEN1MMP2
SCHEMBL10522366 0.93 HRH4 (0.42) HRH4MMP2MMP8MMP9PTPN1
SCHEMBL10522100 0.91 HRH4 (0.43) HRH4LTA4HKMT2AMEN1MMP2
SCHEMBL8487755 0.89 HRH4 (0.48) HRH4CYP3A4
SCHEMBL8487752 0.89 HRH4 (0.48) HRH4CYP3A4
SCHEMBL10878220 0.89 MEN1 (0.41) HRH4LTA4HKMT2AMEN1MMP2
SCHEMBL10521511 0.89 MMP2 (0.46) MMP2MMP8MMP9
SCHEMBL10571933 0.88 REN (0.49) MMP2MMP8MMP9

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
EP-0190891-A2 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1986-08-13 — — EP disclosed
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