SCHEMBL7273223

SCHEMBL7273223

CCOC(=O)C1=C(C)Nc2c(c(C(C)C)nn2C)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.55
CACNA1D Q01668 8/20 0.55
CACNA1S Q13698 8/20 0.55
CACNA1C Q13936 8/20 0.55
ACHE P22303 3/20 0.53
ADORA3 P0DMS8 2/20 0.43
GUSB P08236 1/20 0.41
HIF1A Q16665 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
GPR55 Q9Y2T6 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
SCHEMBL7271341 0.83 CACNA1F (0.66) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL7280492 0.83 CACNA1C (0.53) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL7280395 0.81 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL7272617 0.81 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL11819347 0.80 CACNA1F (0.72) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL7280324 0.80 ALDH1A1 (0.48) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL7272944 0.80 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL7271096 0.79 CA1 (0.46) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL10575991 0.79 CACNA1C (0.57) CACNA1FCACNA1DCACNA1SCACNA1CACHE
SCHEMBL7272872 0.79 MTOR (0.58) CACNA1FCACNA1DCACNA1SCACNA1CACHE

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 2 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 disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed