SCHEMBL10520185

SCHEMBL10520185

O=C(CC(Cc1ccccc1)C(=O)O)NCc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.54
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CPA1 P15085 3/20 0.50
▸ CPB1 P15086 1/20 0.50
▸ CPA3 P15088 1/20 0.50
▸ CPB2 Q96IY4 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ GAA P10253 1/20 0.46

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 0.91 HRH4 (0.52) HRH4KMT2AMEN1MAPTCPA1
SCHEMBL7291238 0.91 HRH4 (0.52) HRH4KMT2AMEN1MAPTCPA1
SCHEMBL10520925 0.84 KMT2A (0.57) HRH4KMT2AMEN1LMNA
SCHEMBL7291021 0.84 KMT2A (0.57) HRH4KMT2AMEN1LMNA
SCHEMBL10519727 0.82 HRH4 (0.54) HRH4KMT2AMEN1LMNACYP1A2
SCHEMBL10749706 0.82 MME (0.49) HRH4CPA1
SCHEMBL7352579 0.81 CYP1A2 (0.65) HRH4KMT2AMEN1CPA1CPB1
SCHEMBL10519520 0.80 MMP8 (0.61) HRH4KMT2AMEN1MAPTCHRNB2
SCHEMBL9238006 0.80 MEN1 (0.57) KMT2AMEN1MAPTLMNACHRNB2
SCHEMBL7288450 0.79 EPHX1 (0.47) HRH4KMT2AMEN1CPA1

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-4863904-A Dipeptides as renin inhibitors KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 — — US disclosed
EP-0181110-A2 Histidine derivatives as renin inhibitors Kissei Pharmaceutical Co. Ltd. (JP) 1986-05-14 — — EP disclosed
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