SCHEMBL10913633

SCHEMBL10913633

Cc1nc(C)c(OC(=O)OCC(C)C)c(-c2ccccc2[N+](=O)[O-])c1OC(=O)OCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL10911579 0.91 ALDH1A1 (0.39) LMNAABCC4CACNA1FNR1I2ABCB11
SCHEMBL10911009 0.90 TDP1 (0.39) LMNAABCC4CACNA1FNR1I2ABCB11
SCHEMBL10913839 0.90 HRH2 (0.40) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10913091 0.83 MAPT (0.43) LMNACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10913623 0.83 KMT2A (0.35) LMNACYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL10748234 0.82 LMNA (0.43) LMNAABCC4CACNA1FNR1I2ABCB11
SCHEMBL6959645 0.81 ALDH1A1 (0.44) LMNAABCC4CACNA1FABCB11CYP1A2
SCHEMBL10914742 0.79 HRH2 (0.34) LMNACYP1A2ALDH1A1MAPTHRH2
SCHEMBL6956139 0.76 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL10923467 0.74 ALDH1A1 (0.44) CACNA1FABCB1CACNA1DPDE4DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088940-B1 PYRIDINE-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BAYER AG (DE) 1986-05-21 — — EP disclosed
EP-0088938-B1 USE OF PYRIDINE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS WITH AN ANTIHYPOXEMIA AND ISCHEMIA-PROTECTIVE ACTIVITY BAYER AG (DE) 1986-04-30 — — EP disclosed
EP-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 — — EP disclosed
EP-0088940-A1 Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions BAYER AG (DE) 1983-09-21 — — EP disclosed
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