SCHEMBL10521267

SCHEMBL10521267

CCOC(=O)C(CC(=O)NCCc1c[nH]c2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.53
▸ AANAT Q16613 1/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ CYP3A4 P08684 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SIRT1 Q96EB6 1/20 0.48

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
SCHEMBL10519877 0.87 AANAT (0.57) MTNR1AAANATMEN1KMT2AMAPT
SCHEMBL9302879 0.77 MEN1 (0.71) MTNR1AAANATMEN1KMT2AMAPT
SCHEMBL7617021 0.76 HDAC8 (0.67) AANATMEN1KMT2AMAPTLMNA
SCHEMBL9554950 0.75 MMP2 (0.53) MTNR1ALMNACYP1A2CYP2C19KDM4E
SCHEMBL10523023 0.74 CTNNB1 (0.49) MEN1KMT2ACYP1A2CYP3A4KDM4E
SCHEMBL761155 0.74 MTNR1A (0.76) MTNR1AAANATMEN1KMT2AMAPT
SCHEMBL31114206 0.74 MTNR1A (0.76) MTNR1AAANATMEN1KMT2AMAPT
SCHEMBL2824958 0.74 AANAT (0.67) MTNR1AAANATMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL3826492 0.73 MTNR1A (0.74) MTNR1AAANATMEN1KMT2AMAPT
SCHEMBL761481 0.73 MTNR1A (0.88) MTNR1AAANATMEN1KMT2AMAPT

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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