SCHEMBL2235669

SCHEMBL2235669

CCN(CCN(Cc1ccc(C)cn1)Cc1ccc(C)cn1)Cc1ccc(C)cn1.Cc1ccc(CN(C)C=CN(Cc2ccc(C)cn2)Cc2ccc(C)cn2)nc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIN28A Q9H9Z2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 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
SCHEMBL2224552 0.88 CXCR4 (0.32) CXCR4
SCHEMBL2224536 0.88 CXCR4 (0.32) CXCR4
SCHEMBL825226 0.88 CCR1 (0.35) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL825228 0.88 CCR1 (0.35) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL825256 0.85 TDP1 (0.43) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2224542 0.81 KDM4E (0.40) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL825255 0.80 CCR1 (0.36) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL825257 0.80 CCR1 (0.36) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14477281 0.78 MAPT (0.48) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL14174793 0.77 CCR1 (0.41) CXCR4CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521750-B1 CURING LIQUIDS OMG UK TECHNOLOGY LTD (GB) 2014-07-02 EP disclosed
EP-2343336-A1 Curing liquids Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2011-07-13 EP disclosed
EP-2038356-B1 LIQUID HARDENING UNILEVER PLC (GB) 2010-08-11 EP disclosed