SCHEMBL7291238

SCHEMBL7291238

O=C(C[C@@H](Cc1cccc2ccccc12)C(=O)O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.52
▸ KMT2A Q03164 6/20 0.49
▸ CTNNB1 P35222 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CPA1 P15085 1/20 0.44
▸ TDP1 Q9NUW8 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
SCHEMBL10519718 1.00 HRH4 (0.52) HRH4KMT2ACTNNB1KDM4EGSK3B
SCHEMBL10520185 0.91 HRH4 (0.54) HRH4KMT2AMEN1MAPTCHRNB2
SCHEMBL7291021 0.90 KMT2A (0.57) HRH4KMT2ACTNNB1MEN1HPGD
SCHEMBL10520925 0.90 KMT2A (0.57) HRH4KMT2ACTNNB1MEN1HPGD
SCHEMBL10749706 0.88 MME (0.49) HRH4CTNNB1CPA1TDP1
SCHEMBL7288450 0.85 EPHX1 (0.47) HRH4KMT2ACTNNB1MEN1CPA1
SCHEMBL10520573 0.83 MEN1 (0.53) HRH4KMT2ACTNNB1KDM4EMEN1
SCHEMBL9013764 0.83 CYP1A2 (0.47) HRH4CTNNB1HPGDCPA1
SCHEMBL7352579 0.82 CYP1A2 (0.65) HRH4KMT2ACTNNB1MEN1SLC1A1
SCHEMBL10338654 0.82 CPA1 (0.57) HRH4CTNNB1SLC1A1HPGDCPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 — — US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 — — EP disclosed
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