SCHEMBL10691113

SCHEMBL10691113

CC(CC#N)C(C#N)(c1ccc(-n2cnc3c2CCCC3)nc1)N1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL10692036 0.82 MKNK1 (0.40) —
SCHEMBL10550925 0.69 ALDH1A1 (0.46) CYP11B2
SCHEMBL11622951 0.67 ALDH1A1 (0.41) CYP3A4GAACYP2C9CYP2C19
SCHEMBL10548057 0.66 CYP11B2 (0.64) CYP11B2
SCHEMBL10737848 0.63 MAPT (0.45) GAACYP2C9CYP2C19
SCHEMBL9203937 0.57 ACHE (0.34) —
SCHEMBL11073696 0.55 PDE3B (0.50) CYP11B2
SCHEMBL2616405 0.54 ALDH1A1 (0.55) CYP11B2GAACYP2C9CYP2C19
SCHEMBL8245080 0.54 CYP11B1 (0.56) CYP11B2GAACYP2C9
SCHEMBL5100976 0.54 CYP11B1 (0.53) CYP11B2GAACYP2C9

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-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 — — EP disclosed
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