SCHEMBL9056236

SCHEMBL9056236

COC(=O)C1=C(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)N(CC(F)(F)F)NC1C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9042364 0.91 AGTR1 (0.41) AGTR1
SCHEMBL9042842 0.90 AGTR1 (0.41) AGTR1
SCHEMBL9059498 0.87 AGTR1 (0.39) AGTR1CNR2
SCHEMBL9043349 0.87 AGTR1 (0.38) AGTR1
SCHEMBL9039196 0.84 AGTR1 (0.37) AGTR1CNR2MAPTSMN1; SMN2
SCHEMBL9039202 0.83 AGTR1 (0.38) AGTR1MAPTSMN1; SMN2
SCHEMBL9056324 0.82 AGTR1 (0.48) AGTR1
SCHEMBL9057231 0.81 AGTR1 (0.41) AGTR1
SCHEMBL9044189 0.81 AGTR1 (0.38) AGTR1MAPTSMN1; SMN2
SCHEMBL9041617 0.81 AGTR1 (0.41) 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