SCHEMBL9475433

SCHEMBL9475433

CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C#N)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.59
ALDH1A1 P00352 5/20 0.53
POLB P06746 3/20 0.53
OPRM1 P35372 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
OPRD1 P41143 1/20 0.53
KDM4E B2RXH2 9/20 0.50
HPGD P15428 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PRKD3 O94806 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK2 P49760 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9662340 0.92 KCNH2 (0.59) KCNH2ALDH1A1POLBOPRM1CHRM2
Pd-117558 SCHEMBL8922444 0.90 KCNH2 (0.65) KCNH2ALDH1A1POLBOPRM1CHRM2
Pd-117558 SCHEMBL10529381 0.89 KCNH2 (0.64) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10574861 0.88 KCNH2 (0.70) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9475295 0.88 KCNH2 (0.57) KCNH2ALDH1A1POLBOPRM1CHRM2
Hydrochloric Acid SCHEMBL10573776 0.87 KCNH2 (0.69) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10530714 0.87 ALDH1A1 (0.70) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10530717 0.87 KCNH2 (0.64) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9661240 0.87 KCNH2 (0.61) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9662378 0.87 KCNH2 (0.61) KCNH2ALDH1A1POLBOPRM1CHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190955-A Bactericides, effective against antibiotic resistant germs BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US claimed
US-5190955-A Bactericides, effective against antibiotic resistant germs BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
US-5051418-A Antibacterial 8-cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4908366-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed