SCHEMBL8564506

SCHEMBL8564506

CCc1nc2ncccc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.62
RAB9A P51151 1/20 0.43
ALOX5AP P20292 1/20 0.41
EDNRA P25101 1/20 0.41
PRKAG1 P54619 2/20 0.40
PRKAA1 Q13131 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
CNR2 P34972 1/20 0.40
ACHE P22303 1/20 0.39
AGTR1 P30556 3/20 0.39
AGTR2 P50052 2/20 0.39

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
SCHEMBL9851483 0.90 PPARG (0.67) PPARGACHEAGTR1AGTR2
SCHEMBL8566073 0.84 PPARG (0.61) PPARGRAB9AALOX5APAGTR1AGTR2
SCHEMBL9402012 0.82 PPARG (0.61) PPARGRAB9AALOX5APEDNRAACHE
SCHEMBL9843785 0.78 PDE4A (0.70) PPARGACHEAGTR1AGTR2
SCHEMBL8559553 0.78 AGTR1 (0.55) PPARGAGTR1AGTR2
SCHEMBL9851490 0.77 PPARG (0.58) PPARGACHEAGTR1AGTR2
SCHEMBL9851500 0.77 AGTR1 (0.43) RAB9AEDNRAAGTR1AGTR2
SCHEMBL9200503 0.77 PPARG (1.00) PPARGEDNRAAGTR1AGTR2
SCHEMBL8789971 0.76 PPARG (0.65) PPARGRAB9AEDNRAAGTR1AGTR2
SCHEMBL9853637 0.76 PPARG (0.74) PPARGAGTR1AGTR2

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 7 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 disclosed
US-5506238-A HYPOTENSIVE AGENT EISAI CO., LTD. (JP) 1996-04-09 US disclosed
EP-0420237-B1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same EISAI CO LTD (JP) 1996-03-06 EP 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