SCHEMBL30196060

SCHEMBL30196060

CC(C)Cc1cccc(-c2ccc(Cn3ccnc3C(C)(C)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR6 P50406 1/20 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
SCHEMBL30672033 0.91 AGTR2 (0.47) AGTR2HDAC1CYP3A4
SCHEMBL30195046 0.79 AGTR2 (0.44) AGTR2
SCHEMBL30194995 0.78 AGTR2 (0.45) AGTR2
SCHEMBL29958663 0.78 KCNH2 (0.40) AGTR2CYP3A4
SCHEMBL23831153 0.76 AGTR2 (0.50) AGTR2
SCHEMBL30338037 0.76 AGTR2 (0.50) AGTR2
SCHEMBL23842521 0.74 AGTR2 (0.47) AGTR2CYP3A4
SCHEMBL25576375 0.74 AGTR2 (0.59) AGTR2CYP3A4
SCHEMBL23842522 0.74 AGTR2 (0.59) AGTR2CYP3A4
Potassium Ion SCHEMBL30394494 0.73 AGTR2 (0.46) AGTR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121165-A1 NOVEL COMPOUNDS USEFUL IN THE TREATMENT AND/OR PREVENTION OF A DISEASE, DISORDER OR CONDITION ASSOCIATED WITH ANGIOTENSIN II Vicore Pharma AB (SE) 2023-01-25 EP disclosed