SCHEMBL9468524

SCHEMBL9468524

CCCCc1n[nH]c(COC)c1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
PTPN1 P18031 4/20 0.33
PDE10A Q9Y233 2/20 0.33

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
SCHEMBL9468527 0.90 AGTR1 (0.33) AGTR1PTPN1
SCHEMBL9468510 0.82 AGTR1 (0.39) AGTR1
SCHEMBL9468535 0.82 AGTR1 (0.43) AGTR1
SCHEMBL9154364 0.81
SCHEMBL9468604 0.81 AGTR1 (0.39) AGTR1PTPN1
SCHEMBL9480594 0.79 AGTR1 (0.44) AGTR1
SCHEMBL9468570 0.77 AGTR1 (0.39) AGTR1
SCHEMBL9308923 0.77 AGTR1 (0.58) AGTR1
SCHEMBL9468237 0.76 AGTR1 (0.41) AGTR1
SCHEMBL9468578 0.76 AGTR1 (0.40) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252593-A Hypotensive agents, cognition activators GLAXO GROUP LIMITED (GB) 1993-10-12 US disclosed
US-5219857-A Method of treating cognitive and related neural behavioral problems AMERICAN CYANAMID COMPANY (US) 1993-06-15 US disclosed
EP-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
US-5126340-A Antidepressants AMERICAN CYANAMID COMPANY (US) 1992-06-30 US disclosed
US-4963553-A TREATING COGNITIVE AND NEURAL BEHAVIORAL PROBLEMS IN MAMMALS AMERICAN CYANAMID CO. (US) 1990-10-16 US disclosed