SCHEMBL21446969

SCHEMBL21446969

CSc1cc(C(C)C)ncc1C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.31
▸ NOS1 P29475 2/20 0.31
▸ NOS2 P35228 2/20 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
SCHEMBL12749928 0.84 TAS1R3 (0.32) NOS3NOS1NOS2
SCHEMBL20642405 0.78 ALOX5AP (0.32) —
SCHEMBL20642375 0.78 GLP1R (0.34) —
SCHEMBL12895995 0.76 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL12749929 0.74 NPC1 (0.31) —
SCHEMBL12749932 0.74 ALOX5AP (0.35) —
SCHEMBL18068087 0.72 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL21076469 0.72 — —
SCHEMBL23842580 0.71 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL20169683 0.71 NOS3 (0.32) NOS3NOS1NOS2

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-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 — — WO disclosed
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