SCHEMBL4596707

SCHEMBL4596707

O=C1NC[C@](c2ccsc2)(C2CCOCC2)N1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
CHRM1 P11229 1/20 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
SCHEMBL4597510 0.84 KDM4E (0.32)
SCHEMBL4596041 0.84 KDM4E (0.32)
SCHEMBL4598027 0.78 CHRNA1 (0.32)
SCHEMBL4596625 0.78 HTR2C (0.35) CHRM1
SCHEMBL4597256 0.78 DRD2 (0.34) GABRA1GABRG2GABRB3
SCHEMBL4596506 0.78 DRD2 (0.34) GABRA1GABRG2GABRB3
SCHEMBL4625414 0.72 CHRM2 (0.34) CHRM1
SCHEMBL4597792 0.72 CHRM2 (0.34) CHRM1
SCHEMBL4595948 0.72 BACE1 (0.36)
SCHEMBL4415834 0.72 BACE1 (0.36)

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed