SCHEMBL9686516

SCHEMBL9686516

CC1(CN)CN(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRNA7 P36544 3/20 0.42
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.38
DHFR P00374 3/20 0.38
DRD4 P21917 1/20 0.38
KCNH2 Q12809 1/20 0.38
GFER P55789 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL9685910 0.84 CHRNA7 (0.42) GAARAD52KMT2ACHRNA7DRD2
SCHEMBL9685878 0.79 MAPT (0.43) KMT2ALMNAMAPTALDH1A1CYP3A4
SCHEMBL9686812 0.76 HTR1A (0.48) GAAKMT2AMAPTKDM4EALDH1A1
SCHEMBL10413242 0.72 MAPK1 (0.41) KMT2ADRD2DRD4ALDH1A1L3MBTL1
SCHEMBL22857712 0.66 CYP3A4 (0.50) KMT2ACHRNA7CYP2D6ALDH1A1CYP3A4
SCHEMBL576814 0.65 LMNA (0.67) GAAKMT2ACHRNA7CYP2D6DRD2
SCHEMBL164538 0.65 LMNA (0.67) GAAKMT2ACHRNA7CYP2D6DRD2
SCHEMBL576454 0.65 LMNA (0.67) GAAKMT2ACHRNA7CYP2D6DRD2
SCHEMBL385012 0.65
SCHEMBL16924853 0.65 LMNA (0.67) GAAKMT2ACHRNA7CYP2D6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed