SCHEMBL21733971

SCHEMBL21733971

Cc1ccc2[nH]ncc2c1C(C)Cc1n[nH]c2c(C(C)(C)C)c(I)ccc12

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 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
SCHEMBL21734001 0.81 NOS1 (0.32) NOS1
SCHEMBL21733602 0.75 NOS1 (0.31) NOS1
SCHEMBL18408609 0.72 — —
SCHEMBL20970353 0.67 CHRM2 (0.30) —
SCHEMBL23841341 0.67 CDK2 (0.34) —
SCHEMBL12110234 0.65 METAP2 (0.46) NOS1
SCHEMBL17030759 0.65 IDO1 (0.41) NOS1
SCHEMBL20132917 0.64 IDO1 (0.40) NOS1
SCHEMBL20510113 0.63 IDO1 (0.39) NOS1
SCHEMBL25906933 0.61 NR3C1 (0.35) NOS1

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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 — — WO disclosed
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