SCHEMBL6217920

SCHEMBL6217920

CS[C@H]1CN(c2c(F)cc3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)C[C@@H]1N.CS[C@H]1CNC[C@@H]1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ KCNH2 Q12809 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TOP2A P11388 5/20 0.37
▸ TOP2B Q02880 5/20 0.37
▸ LMNA P02545 2/20 0.35

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
Hydrochloric Acid SCHEMBL6212740 0.93 ALDH1A1 (0.44) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL6217919 0.90 ALDH1A1 (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8741011 0.82 ALDH1A1 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8741017 0.82 ALDH1A1 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8741014 0.82 ALDH1A1 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9667824 0.82 ALDH1A1 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8567581 0.82 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8567574 0.82 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8567584 0.82 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9670578 0.80 KCNH2 (0.47) ALDH1A1POLBOPRM1CHRM2CHRM1

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-0757990-B1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER HEALTHCARE AG (DE) 2005-03-30 — — EP disclosed
EP-0757990-A1 7-(1-Pyrrolidoinyl)-3-quinolone and naphthyridone carboxylic acid derivatives, method for their preparation and for substituted mono- and bicyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1997-02-12 — — EP disclosed
EP-0350733-A2 7-(1-Pyrrolidinyl)-3-quinolone- and -naphthyridone-carboxylic-acid derivatives, method for their preparation and for substituted mono- and bi-cyclic pyrrolidine intermediates, and their antibacterial and feed additive compositions BAYER AG (DE) 1990-01-17 — — EP disclosed
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