SCHEMBL9354501

SCHEMBL9354501

CN(CCC(=O)NCc1ccccn1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HTT P42858 1/20 0.45

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
SCHEMBL5073353 0.81 HIF1A (0.55) SMN1; SMN2TDP1MEN1KMT2APOLB
SCHEMBL9358281 0.80 HIF1A (0.55) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL19410126 0.79 SMN1; SMN2 (0.56) HPGDSMN1; SMN2TDP1ALOX15GAA
SCHEMBL4676290 0.79 HTR2C (0.49) SMN1; SMN2TDP1MEN1KMT2AMAPT
SCHEMBL9354958 0.78 CYP3A4 (0.62) SMN1; SMN2KMT2AALDH1A1MAPTCYP3A4
SCHEMBL17197020 0.78 KDM4E (0.47) SMN1; SMN2TDP1MEN1KMT2APOLB
SCHEMBL9555310 0.78 ALDH1A1 (0.41) SMN1; SMN2TDP1ALOX15MEN1KMT2A
SCHEMBL14303310 0.78 SMN1; SMN2 (0.59) HPGDSMN1; SMN2TDP1ALOX15GAA
SCHEMBL9354874 0.78 TDP1 (0.54) HPGDSMN1; SMN2TDP1ALOX15GAA
SCHEMBL4678395 0.77 SMN1; SMN2 (0.61) HPGDSMN1; SMN2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1026892-C New amino acid derivatives, process for preparation thereof and pharmaceutical composition comprising same FUJISAWA PHARMACEUTICAL CO (JP) 1994-12-07 — — CN disclosed
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 — — EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 — — US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 — — US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 — — US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 — — EP disclosed
CN-1030411-A New amino acid derivatives, its preparation method and contain its pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1989-01-18 — — CN disclosed
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