SCHEMBL8999670

SCHEMBL8999670

COC(=O)[C@@H]1C[C@H](Oc2ccc(C#N)cc2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MCL1 Q07820 2/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
P2RX3 P56373 1/20 0.40
TP53 P04637 1/20 0.40
YAP1 P46937 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MITF O75030 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8999667 1.00 HRH3 (0.43) HRH3L3MBTL1MAOBPOLBKDM4E
SCHEMBL2298566 0.90 POLB (0.47) POLBKDM4ELMNAMCL1ALDH1A1
SCHEMBL7015459 0.90 POLB (0.47) POLBKDM4ELMNAMCL1ALDH1A1
SCHEMBL7015458 0.90 POLB (0.47) POLBKDM4ELMNAMCL1ALDH1A1
SCHEMBL7020805 0.89 ALDH1A1 (0.48) POLBKDM4ELMNAMCL1ALDH1A1
SCHEMBL7020775 0.89 ALDH1A1 (0.48) POLBKDM4ELMNAMCL1ALDH1A1
SCHEMBL30568506 0.87 NPSR1 (0.41) L3MBTL1POLBKDM4ELMNAMCL1
SCHEMBL8999682 0.86 POLB (0.43) POLBKDM4ELMNAMCL1ALDH1A1
SCHEMBL7021952 0.85 MCL1 (0.45) POLBKDM4ELMNAMCL1ALDH1A1
SCHEMBL7021955 0.85 MCL1 (0.45) POLBKDM4ELMNAMCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484780-A CARDIOVASCULAR, HYPOTENSIVE ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed
US-5401851-A Preparation of proline derivatives ELI LILLY AND COMPANY (US) 1995-03-28 US disclosed
US-5380866-A Alkyl substituted nitroimidazole acetic acids ELI LILLY AND COMPANY (US) 1995-01-10 US disclosed
EP-0621269-A1 Alkyl substituted nitroimidazole acetic acids ELI LILLY AND COMPANY (US) 1994-10-26 EP disclosed
US-5344937-A Alkyl substituted nitroimidazole acetic acids ELI LILLY AND COMPANY (US) 1994-09-06 US disclosed
EP-0573271-A1 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-08 EP disclosed