SCHEMBL7271096

SCHEMBL7271096

CCOC(=O)C1=C(C)Nc2c(c(C(C)C)nn2C)C1c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ADORA3 P0DMS8 3/20 0.44
KDM4E B2RXH2 7/20 0.43
HSD17B10 Q99714 4/20 0.43
CASP1 P29466 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.41
ACHE P22303 3/20 0.41
CYP2C9 P11712 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
NR1I2 O75469 2/20 0.41
PGR P06401 2/20 0.41
OPRK1 P41145 2/20 0.41
PDE4D Q08499 2/20 0.41
HTT P42858 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL7280324 0.90 ALDH1A1 (0.48) ADORA3KDM4EHSD17B10CASP1ALDH1A1
SCHEMBL7272356 0.88 ALDH1A1 (0.42) ADORA3KDM4EHSD17B10CASP1ALDH1A1
SCHEMBL7280492 0.88 CACNA1C (0.53) ACHECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7282275 0.88 CA1 (0.49) CA1CA2ADORA3KDM4EHSD17B10
SCHEMBL7280765 0.87 CACNA1D (0.54) ADORA3KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7282581 0.86 ALDH1A1 (0.38) CA1CA2KDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL7272589 0.86 LMNA (0.37) CA1CA2ADORA3KDM4EHSD17B10
SCHEMBL7272932 0.84 CACNA1C (0.53) CA1CA2ADORA3KDM4EHSD17B10
SCHEMBL7272872 0.81 MTOR (0.58) ADORA3KDM4EHSD17B10CASP1ALDH1A1
SCHEMBL7273223 0.79 CACNA1F (0.55) ADORA3KDM4EALDH1A1TSHRACHE

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-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP claimed
EP-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed
EP-0114273-A1 New pharmacologically active pyrazolopyridines GRUPPO LEPETIT S.p.A. (IT) 1984-08-01 EP disclosed