SCHEMBL25583605

SCHEMBL25583605

C=C(C)N(C)c1ncc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 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
SCHEMBL20049857 0.82 — —
SCHEMBL25587614 0.77 GRIN2B (0.42) —
SCHEMBL25587000 0.76 GRIN2B (0.43) —
SCHEMBL25587712 0.76 GRIN2B (0.40) —
SCHEMBL15061923 0.76 NOS3 (0.54) NOS3NOS1NOS2CCR1CCR5
SCHEMBL20049966 0.73 GRIN2B (0.43) —
SCHEMBL20049785 0.73 GPBAR1 (0.39) —
SCHEMBL25584017 0.73 GRIN2B (0.40) —
SCHEMBL25587638 0.72 ESR2 (0.46) —
SCHEMBL25587627 0.71 GRIN2B (0.46) —

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-3523311-B1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 — — EP disclosed
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