SCHEMBL7301279

SCHEMBL7301279

O=C(CNC1Cc2ccccc2C1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GRIN2B Q13224 4/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44
FYN P06241 1/20 0.43
NOTUM Q6P988 1/20 0.43
TSHR P16473 1/20 0.43

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
Hydrochloric Acid SCHEMBL9725902 0.99 GRIN2B (0.49) ALDH1A1GRIN2BMAPK1L3MBTL1SIGMAR1
SCHEMBL4634622 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1GAATSHR
SCHEMBL18154137 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL22416691 0.82 ALDH1A1 (0.60) ALDH1A1MAPK1L3MBTL1GAA
SCHEMBL1414262 0.82 ALDH1A1 (0.60) ALDH1A1MAPK1L3MBTL1GAA
SCHEMBL7334700 0.82 MTNR1A (0.47) ALDH1A1GRIN2BGAA
Hydrochloric Acid SCHEMBL1414261 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1GAALMNA
SCHEMBL15521641 0.81 KEAP1 (0.48) ALDH1A1MAPK1L3MBTL1GAA
Hydrochloric Acid SCHEMBL7334726 0.81 MTNR1A (0.46) ALDH1A1GRIN2BGAA
SCHEMBL24188907 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014202659-A1 PROCESS FOR THE PREPARATION OF AMIDES OF N-[1-(S)-(ETHOXYCARBONYL)-3-PHENYLPROPYL]-L-ALANINE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-12-24 WO disclosed
EP-0494071-B1 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-04-16 EP disclosed
US-5430025-A Elastase-inhibiting peptides bearing a C-terminal trifluoromethylketone moiety FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5296591-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0281393-B1 METHOD FOR PRODUCING INDAN DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1993-08-04 EP disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed
US-5098892-A Angiotensin converting enzyme inhibitors as hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-24 US disclosed
US-4835302-A Method for producing indan derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-30 US disclosed
US-4831184-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-05-16 US disclosed
US-4822818-A ANTIHYPERTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
EP-0281393-A2 Method for producing indan derivatives Takeda Chemical Industries, Ltd. (JP) 1988-09-07 EP disclosed
US-4474692-A L-Alanyl-N-(indan-2-yl)glycine, its esters and salts thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-02 US disclosed
EP-0051391-B1 BICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-05 EP disclosed
EP-0051391-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-05-12 EP disclosed