SCHEMBL8800937

SCHEMBL8800937

Cc1ccnc2c1nc(C1CC1)n2Cc1ccc(-c2cc(Cl)ccc2C(=O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.79
AGTR2 P50052 2/20 0.79
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
PPARG P37231 7/20 0.40

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
SCHEMBL685515 0.88 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL30838455 0.88 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL20017271 0.86 AGTR1 (0.80) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL8972527 0.85 AGTR1 (0.93) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL8958505 0.84 AGTR1 (0.81) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL9847827 0.81 AGTR2 (0.69) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL20860208 0.79 AGTR1 (0.82) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL8802161 0.79 AGTR1 (0.82) AGTR1AGTR2PPARG
SCHEMBL14062533 0.79 AGTR1 (0.82) AGTR1AGTR2NOS1NOS2PPARG
SCHEMBL9847862 0.77 AGTR1 (0.71) AGTR1AGTR2NPC1RAB9ASMN1; SMN2

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-0628557-B1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same EISAI CO LTD (JP) 1997-05-02 EP claimed
EP-0628557-A1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-12-14 EP claimed
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