SCHEMBL9753473

SCHEMBL9753473

CN1CCCCC1N1CCC(F)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8788971 0.78 CYP1A2 (0.32) CYP1A2
SCHEMBL10519781 0.78 CYP1A2 (0.39) CYP1A2
SCHEMBL9831661 0.78 CYP1A2 (0.39) CYP1A2
SCHEMBL6111083 0.76 CYP1A2 (0.42) CYP1A2
SCHEMBL21129873 0.76 CYP1A2 (0.42) CYP1A2
SCHEMBL12388313 0.76 CYP1A2 (0.38) CYP1A2
SCHEMBL21120996 0.76 CYP1A2 (0.42) CYP1A2
SCHEMBL12243011 0.74 CYP1A2 (0.41) CYP1A2
SCHEMBL897302 0.73 CHRNB2 (0.34) CYP1A2
SCHEMBL897301 0.73 CHRNB2 (0.34) 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-1991008206-A1 N-ACYL-SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS DR. LO. ZAMBELETTI S.P.A. (IT) 1991-06-13 WO disclosed