SCHEMBL21236174

SCHEMBL21236174

C=Nc1cc(-c2ccc(C3CC3)cc2F)nn1CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.32
▸ ACSS2 Q9NR19 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL23953795 0.91 ESR2 (0.32) —
SCHEMBL21236590 0.83 — —
SCHEMBL21236592 0.81 LMNA (0.36) —
SCHEMBL21236591 0.81 CYP11B1 (0.32) FASN
SCHEMBL23953794 0.69 SUV39H2 (0.37) —
SCHEMBL11115196 0.66 CYP2C9 (0.36) FASN
SCHEMBL11115194 0.66 CYP2C9 (0.36) FASN
SCHEMBL9402508 0.65 DHODH (0.40) —
SCHEMBL9328019 0.65 DHODH (0.40) —
SCHEMBL11110508 0.64 HCRTR2 (0.39) FASN

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-3746444-B1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2023-09-27 — — EP disclosed
WO-2019149734-A1 CYCLOALKYL SUBSTITUTED PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST RSV Janssen Sciences Ireland Unlimited Company (IE) 2019-08-08 — — WO disclosed
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