SCHEMBL7010885

SCHEMBL7010885

CCCC[Sn](CCCC)(CCCC)c1c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c2c1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.54
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
KCNH2 Q12809 3/20 0.41
TOP2A P11388 5/20 0.41
TOP2B Q02880 5/20 0.41
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7015374 0.91 ADRB2 (0.56) ADRB2ALDH1A1KCNH2TOP2ATOP2B
SCHEMBL7009258 0.89 ADRB2 (0.53) ADRB2ALDH1A1POLBOPRM1KCNH2
SCHEMBL7575069 0.84 ADRB2 (0.61) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL7008652 0.83 ADRB2 (0.50) ADRB2ALDH1A1KCNH2TOP2ATOP2B
SCHEMBL7584091 0.82 ADRB2 (0.57) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL5704396 0.82 ADRB2 (0.64) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL25669900 0.81 ADRB2 (0.58) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL25669976 0.80 ADRB2 (0.57) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL4564641 0.80 ADRB2 (0.57) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL10472998 0.80 ADRB2 (0.57) ADRB2ALDH1A1POLBCHRM2CHRM1

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-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed