SCHEMBL7086025

SCHEMBL7086025

CCC(C)(Cc1ccc(S(C)(=O)=O)cc1)NCCCCN1CCCN(S(=O)(=O)CCN2CCNCC2)CC1=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.31
NMT1 P30419 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6172884 0.82 LMNA (0.30)
SCHEMBL6173400 0.82 ACHE (0.31)
SCHEMBL6172320 0.80 SMN1; SMN2 (0.33)
SCHEMBL6173064 0.80 CCR2 (0.33) CCR2
SCHEMBL6174487 0.79 GPR119 (0.30)
SCHEMBL6985419 0.79 KMT2A (0.41)
SCHEMBL6984916 0.79 KMT2A (0.41)
SCHEMBL6986506 0.78 SMN1; SMN2 (0.37) CCR2
SCHEMBL6170991 0.78 CYP2D6 (0.36)
SCHEMBL4871408 0.77 CCR2 (0.31) CCR2

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-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed