SCHEMBL9200210

SCHEMBL9200210

CCc1nc2c(C)nsc2n1Cc1ccc(OCc2ccc(-c3nnn[nH]3)cc2Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.32
AGTR1 P30556 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL9203639 0.93 AGTR2 (0.32) AGTR2AGTR1MAPT
SCHEMBL9203347 0.89 MAPT (0.35) AGTR2AGTR1MAPTMEN1KMT2A
SCHEMBL9200703 0.85 PDE10A (0.38) AGTR2AGTR1MAPT
SCHEMBL9203335 0.85 MAPT (0.36) AGTR2AGTR1MAPT
SCHEMBL9286231 0.84 AGTR2 (0.31) AGTR2AGTR1
SCHEMBL9200951 0.84 MAPT (0.33) AGTR2AGTR1MAPT
SCHEMBL9205503 0.83 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9203634 0.83 MAPT (0.34) AGTR2AGTR1MAPT
SCHEMBL9203059 0.81 AGTR1 (0.36) AGTR2AGTR1
SCHEMBL9205216 0.79 AGTR2 (0.38) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed