SCHEMBL7745635

SCHEMBL7745635

CCN1C(=CC2=C(O)C(C=C3N(CCCCCC(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)C2O)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
FOLH1 Q04609 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ADORA1 P30542 3/20 0.33
CXCR4 P61073 1/20 0.32
NPY4R P50391 2/20 0.31
TLR8 Q9NR97 1/20 0.31
PTPN1 P18031 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL7745633 1.00 CHRM1 (0.34) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL7745631 1.00 CHRM1 (0.34) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL8009972 0.97 ADORA1 (0.33) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL8009961 0.97 ADORA1 (0.33) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL5003030 0.97 ADORA1 (0.33) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL7750125 0.96 CHRM1 (0.36) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL7750132 0.96 CHRM1 (0.36) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL7750139 0.96 CHRM1 (0.36) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL7750468 0.96 CHRM1 (0.36) CHRM1OPRM1OPRK1FOLH1DPP8
SCHEMBL7750475 0.96 CHRM1 (0.36) CHRM1OPRM1OPRK1FOLH1DPP8

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-0898596-B1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARM BIOTECH UK LTD (GB) 2001-08-29 EP disclosed
US-6140494-A INCREASED WATER SOLUBILITY, INCREASED PHOTOSTABILITY, BRIGHTNESS AND THE POTENTIAL REDUCTION OF INTERACTIONS WITH SURROUNDINGS AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-31 US disclosed