SCHEMBL8564718

SCHEMBL8564718

CCOc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.70
AGTR2 P50052 2/20 0.70
PPARG P37231 2/20 0.55
MME P08473 1/20 0.50
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRB3 P13945 1/20 0.49
ADRA2B P18089 1/20 0.49
SLC6A2 P23975 1/20 0.49
TBXAS1 P24557 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
PDE3A Q14432 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49

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
SCHEMBL8559430 0.92 AGTR1 (0.68) AGTR1AGTR2PPARGMME
SCHEMBL8568074 0.91 AGTR1 (0.72) AGTR1AGTR2PPARG
SCHEMBL9847864 0.90 AGTR1 (0.58) AGTR1AGTR2PPARGMME
SCHEMBL8971658 0.88 AGTR1 (0.75) AGTR1AGTR2PPARG
SCHEMBL683364 0.87 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL8972109 0.87 AGTR1 (0.72) AGTR1AGTR2PPARG
SCHEMBL8972327 0.86 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL8972114 0.85 PPARG (0.73) AGTR1AGTR2PPARG
SCHEMBL8559181 0.85 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL8972058 0.84 AGTR1 (0.70) AGTR1AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598702-B1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same EISAI CO LTD (JP) 1998-06-10 EP claimed
EP-0598702-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-05-25 EP claimed
EP-0598702-B1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same EISAI CO LTD (JP) 1998-06-10 EP disclosed
US-5506238-A HYPOTENSIVE AGENT EISAI CO., LTD. (JP) 1996-04-09 US disclosed
EP-0628557-A1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-12-14 EP disclosed
US-5328911-A Cardiovascular disorders, hypotensive agents and congestive heart failure EISAI CO., LTD. (JP) 1994-07-12 US disclosed
EP-0598702-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-05-25 EP disclosed
US-5298518-A Biphenylmethane derivative and pharmacological use EISAI CO., LTD. (JP) 1994-03-29 US disclosed