SCHEMBL8694309

SCHEMBL8694309

CCCCn1cc(C(=O)OCC)c(Cc2ccc(Br)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
TEAD2 Q15562 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TARBP2 Q15633 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8696774 0.75 NPC1 (0.46) PDE3BPDE3AMEN1KMT2ARAB9A
SCHEMBL8695782 0.75 HTT (0.40) PDE3BPDE3ALMNAMAPTL3MBTL1
SCHEMBL8689877 0.74 HTT (0.40) PDE3BPDE3ALMNAMAPTL3MBTL1
SCHEMBL15884482 0.73 TEAD2 (0.44) TEAD2MEN1KMT2AADORA3ADORA2A
SCHEMBL20028207 0.73 TSHR (0.50) PDE3BPDE3ARAB9ANPC1ADORA3
SCHEMBL8697260 0.73 PDE3B (0.50) PDE3BPDE3AMEN1KMT2ARAB9A
SCHEMBL8692878 0.73 HTT (0.43) PDE3BPDE3ALMNAL3MBTL1HTT
SCHEMBL8691319 0.72 CYP19A1 (0.47) PDE3BPDE3AKMT2ALMNAMAPT
SCHEMBL15884305 0.71 TEAD2 (0.46) TEAD2MEN1KMT2ARAB9ANPC1
SCHEMBL8690998 0.70 CNR2 (0.38) KMT2AL3MBTL1ALDH1A1

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