SCHEMBL9023635

SCHEMBL9023635

Nc1c(F)c(N2CC[C@H](N)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.58
HRH3 Q9Y5N1 1/20 0.58
ALDH1A1 P00352 4/20 0.55
POLB P06746 2/20 0.55
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
CACNA1F O60840 1/20 0.52
MAPK1 P28482 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
GSK3B P49841 8/20 0.49
KDM4E B2RXH2 3/20 0.48
TOP2A P11388 2/20 0.48
TOP2B Q02880 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL9023644 1.00 KCNH2 (0.58) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL10685966 0.90 KCNH2 (0.58) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL8110519 0.89 KCNH2 (0.73) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL8925391 0.86 KCNH2 (0.57) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL9457034 0.86 KCNH2 (0.54) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL9457207 0.86 KCNH2 (0.54) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL8925462 0.86 KCNH2 (0.57) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL8573733 0.86 KCNH2 (0.56) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL8566245 0.86 KCNH2 (0.56) KCNH2HRH3ALDH1A1POLBCHRM2
SCHEMBL8925399 0.86 KCNH2 (0.57) KCNH2HRH3ALDH1A1POLBCHRM2

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-0641793-B1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU PHARMACEUTICAL (JP) 1996-10-23 EP disclosed
US-5547962-A QUINOLONE ANTIBIOTICS HORURIKU SEIYAKU CO., LTD. (JP) 1996-08-20 US disclosed
EP-0641793-A1 5-Amino-8-methyl-7-pyrrolidinylquinoline-3-carboxylic acid derivative HOKURIKU SEIYAKU CO., LTD. (JP) 1995-03-08 EP disclosed