SCHEMBL8348348

SCHEMBL8348348

CNC[C@@]1(CC(=O)O)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35

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
SCHEMBL13451251 1.00 CYP1A2 (0.35) CYP1A2
SCHEMBL13450942 0.84 CYP1A2 (0.32) CYP1A2
SCHEMBL8348253 0.84 CYP1A2 (0.32) CYP1A2
SCHEMBL13451152 0.81 CYP1A2 (0.32) CYP1A2
SCHEMBL3165427 0.80 CYP1A2 (0.37) CYP1A2
SCHEMBL3258056 0.80 CYP1A2 (0.37) CYP1A2
SCHEMBL3147169 0.80 CYP1A2 (0.37) CYP1A2
SCHEMBL3147308 0.79 CYP1A2 (0.38) CYP1A2
SCHEMBL21622002 0.79 CYP1A2 (0.38) CYP1A2
SCHEMBL3152635 0.79 CYP1A2 (0.38) CYP1A2

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-2004016260-A1 THERAPEUTIC USE OF FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS PFIZER LIMITED (GB) 2004-02-26 WO disclosed