SCHEMBL6595211

SCHEMBL6595211

CCCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.52
AGTR2 P50052 6/20 0.52
ABCC3 O15438 1/20 0.50
ABCC4 O15439 1/20 0.50
ABCB11 O95342 1/20 0.50
CYP3A4 P08684 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3A Q14432 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50

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
SCHEMBL991961 0.94 AGTR1 (0.59) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL28484414 0.88 AGTR1 (0.59) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL9259068 0.87 AGTR1 (0.52) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL1275437 0.86 AGTR1 (0.55) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL991977 0.85 AGTR1 (0.69) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL1966071 0.85 AGTR1 (0.59) AGTR1AGTR2ABCC3ABCC4ABCB11
Potassium Ion SCHEMBL16872384 0.83 AGTR1 (0.60) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL94332 0.83 AGTR1 (0.74) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL992501 0.83 AGTR1 (0.51) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL16872178 0.82 AGTR1 (0.62) AGTR1AGTR2ABCC3ABCC4ABCB11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110551-B1 Ocular tension lowering agent SANKYO CO (JP) 2004-05-12 EP disclosed
EP-0795326-B1 OCULAR TENSION DEPRESSANT SANKYO CO (JP) 2001-09-26 EP disclosed
EP-1110551-A2 Ocular tension lowering agent Sankyo Company Limited (JP) 2001-06-27 EP disclosed
US-5925664-A VISION DEFECTS SANKYO COMPANY, LIMITED (JP) 1999-07-20 US disclosed
EP-0795326-A1 OCULAR TENSION DEPRESSANT SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed