SCHEMBL9044189

SCHEMBL9044189

COC(=O)C1=C(C)NN(CC(F)(F)F)C1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.38
AGTR2 P50052 2/20 0.33
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
SCHEMBL9042359 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9042837 0.91 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9059497 0.90 AGTR1 (0.39) AGTR1AGTR2SMN1; SMN2
SCHEMBL9056081 0.88 AGTR1 (0.38) AGTR1AGTR2MAPT
SCHEMBL9039202 0.85 AGTR1 (0.38) AGTR1AGTR2MAPTSMN1; SMN2
SCHEMBL9039196 0.84 AGTR1 (0.37) AGTR1MAPTSMN1; SMN2
SCHEMBL9056317 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9041610 0.82 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9041139 0.81 AGTR1 (0.40) AGTR1
SCHEMBL9056236 0.81 AGTR1 (0.38) AGTR1MAPTSMN1; SMN2

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-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed