SCHEMBL27519680

SCHEMBL27519680

COC(=O)C1=CC=NCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
CHRM3 P20309 2/20 0.37
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
THRB P10828 1/20 0.36
CHRM1 P11229 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
BLM P54132 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 0.31

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
SCHEMBL17656461 0.78
SCHEMBL5906945 0.77 PTPN1 (0.50) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL12905841 0.69 PTPN1 (0.45) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL10036725 0.68 PTPN1 (0.44) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL6858231 0.68 PTPN1 (0.55) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL14614628 0.68 PTPN1 (0.44) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL28822133 0.68 CHRM3 (0.43) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL19852053 0.67 CHRM3 (0.35) PTPN1CHRM3LMNACHRM2CHRM4
SCHEMBL13153088 0.67 NOS3 (0.46) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL15947267 0.67 CHRM3 (0.35) PTPN1CHRM3LMNACHRM2CHRM4

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
CN-1049501-A AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER (US) 1991-02-27 CN disclosed