SCHEMBL8360611

SCHEMBL8360611

CNC(CCCN)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.53
▸ HTR2A P28223 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ TLR2 O60603 3/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ CXCR3 P49682 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40

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
SCHEMBL13689403 0.84 CPB2 (0.49) CPB2HTR2AHRH1TLR2MMP2
SCHEMBL18725756 0.82 CPB2 (0.60) CPB2HTR2AHRH1TLR2MMP2
SCHEMBL18725757 0.82 CPB2 (0.60) CPB2HTR2AHRH1TLR2MMP2
SCHEMBL18742006 0.82 CPB2 (0.60) CPB2HTR2AHRH1TLR2MMP2
SCHEMBL9275432 0.82 TLR2 (0.56) TLR2
SCHEMBL8358645 0.82 TLR2 (0.56) TLR2
SCHEMBL9201253 0.81 CTSD (0.45) HTR2AHRH1
SCHEMBL9201265 0.81 CTSD (0.45) HTR2AHRH1
SCHEMBL8358585 0.78 CYP2D6 (0.59) TLR2
SCHEMBL23052583 0.78 MMP1 (0.47) CPB2TLR2MMP2

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-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 — — WO disclosed
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