SCHEMBL6984639

SCHEMBL6984639

CCC1CNC[C@@H](CC)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA7 P36544 2/20 0.31
CHRNA4 P43681 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
SCHEMBL1547371 1.00 CCR5 (0.32) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5228403 1.00 CCR5 (0.32) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5671841 0.97 CHRNB2 (0.30) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5671844 0.97 CHRNB2 (0.30) CCR5CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL24558823 0.87
SCHEMBL14139356 0.87
SCHEMBL14256079 0.87 EPHX2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8467749 0.87
SCHEMBL84790 0.87
Hydrochloric Acid SCHEMBL16794147 0.84

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315710-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2003-06-04 EP disclosed
WO-2002016340-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed