SCHEMBL8690658

SCHEMBL8690658

CCOC(=O)c1c(Cc2ccc(Br)cc2)nn(CC)c1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 1/20 0.36
DGAT1 O75907 2/20 0.36
SOAT1 P35610 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8690433 0.92 ALDH1A1 (0.40) HTTPDE3BPDE3AALOX5ALDH1A1
SCHEMBL8696610 0.80 HTT (0.44) HTTPDE3BPDE3AALOX5ALDH1A1
SCHEMBL8694583 0.75 LMNA (0.39) PDE3BPDE3AALDH1A1LMNAGLA
SCHEMBL8690895 0.74 HTT (0.42) HTTPDE3BPDE3AALOX5ALDH1A1
SCHEMBL8690228 0.74 ALDH1A1 (0.41) HTTPDE3BPDE3AALOX5ALDH1A1
SCHEMBL8695782 0.73 HTT (0.40) HTTPDE3BPDE3AALOX5ALDH1A1
SCHEMBL8691277 0.73 ALDH1A1 (0.47) HTTPDE3BPDE3AALOX5ALDH1A1
SCHEMBL8693020 0.73 ALDH1A1 (0.47) HTTPDE3BPDE3AALOX5ALDH1A1
SCHEMBL8689877 0.72 HTT (0.40) HTTPDE3BPDE3AALOX5ALDH1A1
SCHEMBL19618980 0.71 ALDH1A1 (0.39) HTTALDH1A1MAPTMAPK1SMN1; SMN2

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
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed