SCHEMBL7313338

SCHEMBL7313338

CCOC(=O)CC(=O)COCCN(C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.49
ACHE P22303 5/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LTA4H P09960 3/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9761125 0.98 TSHR (0.51) SMN1; SMN2ALDH1A1ACHETSHRKDM4E
SCHEMBL13212401 0.90 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1ACHETSHRKDM4E
SCHEMBL10964426 0.88 MEN1 (0.43) SMN1; SMN2LTA4HL3MBTL1
SCHEMBL10967093 0.87 ACHE (0.48) SMN1; SMN2ALDH1A1ACHETSHRLTA4H
SCHEMBL10597046 0.81 RAB9A (0.49) SMN1; SMN2ALDH1A1TSHRKDM4ELTA4H
SCHEMBL4803036 0.81 ABCB1 (0.47) SMN1; SMN2LTA4HLMNAL3MBTL1
SCHEMBL4474585 0.80 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1ACHETSHRKDM4E
SCHEMBL17941049 0.79 KDM4E (0.55) SMN1; SMN2ALDH1A1ACHETSHRKDM4E
SCHEMBL1303146 0.78 LTA4H (0.62) SMN1; SMN2ALDH1A1LTA4HLMNAPOLB
SCHEMBL53331 0.78 PPID (0.49) SMN1; SMN2ALDH1A1TSHRLMNAPOLB

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
US-4647565-A 2-(2-quinazolinylaminoalkoxymethyl)-1,4-dihydropyridine derivatives as cardiovascular agents PFIZER INC. (US) 1987-03-03 US disclosed
US-4572909-A 2-(Secondary aminoalkoxymethyl) dihydropyridine derivatives as anti-ischaemic and antihypertensive agents PFIZER INC. (US) 1986-02-25 US disclosed
EP-0168151-A1 Dihydropyridine cardiovascular agents Pfizer Limited (GB) 1986-01-15 EP disclosed
EP-0060674-B1 DIHYDROPYRIDINE ANTI-ISCHAEMIC AND ANTIHYPERTENSIVE AGENTS, PROCESSES FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1985-09-18 EP disclosed
US-4430333-A Dihydropyridine anti-ischaemic and antihypertensive agents PFIZER INC. (US) 1984-02-07 US disclosed
EP-0089167-A2 Dihydropyridine anti-ischaemic and antihypertensive agents, processes for their production, and pharmaceutical compositions containing them Pfizer Limited (GB) 1983-09-21 EP disclosed
EP-0060674-A1 Dihydropyridine anti-ischaemic and antihypertensive agents, processes for their production, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-09-22 EP disclosed