SCHEMBL7035519

SCHEMBL7035519

CC(c1ccccn1)N(C)Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LIN28A Q9H9Z2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CXCR4 P61073 8/20 0.45
CHRM2 P08172 3/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
KCNA5 P22460 2/20 0.42
KCNH2 Q12809 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL23428518 0.85 CXCR4 (0.63) TSHRCXCR4CHRM2CHRM4CHRM5
SCHEMBL5556094 0.85 TSHR (0.50) TSHRMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL12089127 0.82 TDP1 (0.55) TSHRMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL15883099 0.81 TSHR (0.53) TSHRSMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL17799257 0.80 CXCR4 (0.41) TSHRCXCR4CHRM2CHRM4CHRM5
SCHEMBL20851244 0.80 CXCR4 (0.44) TSHRCXCR4CHRM2CHRM4CHRM5
SCHEMBL7093038 0.79 TDP1 (0.52) TSHRMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL18997830 0.79 TSHR (0.56) TSHRSMN1; SMN2CXCR4CHRM2CHRM4
SCHEMBL22894684 0.78 CXCR4 (0.56) TSHRMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL172599 0.78 TDP1 (0.50) TSHRMAPTSMN1; SMN2LIN28ATDP1

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-1285055-A1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2003-02-26 EP disclosed
WO-2001092455-A1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2001-12-06 WO disclosed
WO-2001064825-A1 BLEACHING COMPOSITION AND METHOD FOR BLEACHING LAUNDRY FABRICS UNILEVER PLC (GB) 2001-09-07 WO disclosed