SCHEMBL9057612

SCHEMBL9057612

CCOC(=O)C1=C(C2CC2)NN(CC)C1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.38
TSHR P16473 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL9042536 0.94 AGTR1 (0.39) AGTR1TSHR
SCHEMBL9042359 0.83 AGTR1 (0.40) AGTR1
SCHEMBL9043150 0.83 AGTR1 (0.49) AGTR1
SCHEMBL9041118 0.81 AGTR1 (0.39) AGTR1
SCHEMBL9043557 0.81 AGTR1 (0.39) AGTR1TSHR
SCHEMBL9040768 0.81 AGTR1 (0.42) AGTR1
SCHEMBL9055422 0.81 AGTR1 (0.39) AGTR1
SCHEMBL9056133 0.81 AGTR1 (0.43) AGTR1
SCHEMBL9056081 0.79 AGTR1 (0.38) AGTR1TSHRPKMMAPK1RAB9A
SCHEMBL9058884 0.78 AGTR1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed