SCHEMBL6598015

SCHEMBL6598015

CCCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.54
AGTR2 P50052 7/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
ABCB11 O95342 1/20 0.54
CYP3A4 P08684 1/20 0.54
PDE4D Q08499 1/20 0.54
PDE3A Q14432 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54

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
SCHEMBL986792 0.92 AGTR1 (0.62) AGTR1AGTR2ABCC3ABCC4ABCB11
Hydrochloric Acid SCHEMBL7305266 0.91 AGTR1 (0.62) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL1444914 0.90 AGTR1 (0.54) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL6605154 0.89 AGTR1 (0.64) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL683727 0.86 AGTR1 (0.58) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668336 0.86 AGTR1 (0.57) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7886344 0.84 AGTR1 (0.53) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7308359 0.84 AGTR1 (0.53) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL9254924 0.84 AGTR1 (0.57) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL16327937 0.84 AGTR1 (0.61) 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 4 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
EP-0795326-A1 OCULAR TENSION DEPRESSANT SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed