SCHEMBL8972001

SCHEMBL8972001

CCCCc1nc2c(C)c(N)cnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
AGTR1 P30556 8/20 0.50
AGTR2 P50052 8/20 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
SCHEMBL8972563 0.95 AGTR1 (0.53) MEN1KMT2AAGTR1AGTR2
SCHEMBL9854298 0.90 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8971629 0.87 AGTR1 (0.41) MEN1KMT2AAGTR1AGTR2
SCHEMBL8971906 0.87 PDE10A (0.41) MEN1KMT2AAGTR1AGTR2
SCHEMBL9312917 0.86 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8161625 0.85 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL8971853 0.85 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9311939 0.85 TLR7 (0.39) AGTR1AGTR2
Ammonia Solution, Strong SCHEMBL8971992 0.85 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9667727 0.84 AGTR1 (0.51) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed