SCHEMBL25615299

SCHEMBL25615299

CC1CCCC2(CCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42

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
SCHEMBL18508484 0.97 CYP1A2 (0.41) CYP1A2
SCHEMBL18792949 0.89 CYP1A2 (0.33) CYP1A2
SCHEMBL5565360 0.86 CYP1A2 (0.32) CYP1A2
SCHEMBL18642972 0.84 CYP1A2 (0.36) CYP1A2
SCHEMBL16659557 0.82 CYP1A2 (0.35) CYP1A2
SCHEMBL24244427 0.80 CYP1A2 (0.37) CYP1A2
SCHEMBL22906723 0.80 ALDH1A1 (0.36) CYP1A2
SCHEMBL16659539 0.79 CYP1A2 (0.36) CYP1A2
SCHEMBL13958355 0.77 CYP1A2 (0.35) CYP1A2
SCHEMBL18792875 0.77 APOBEC3A (0.34)

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-2023091461-A1 PYRIDINE COMPOUNDS AS KV7.2 ENHANCERS ICAGEN, LLC (US) 2023-05-25 WO disclosed