SCHEMBL9686830

SCHEMBL9686830

O=C(NCC1CN(Cc2ccccc2)CCO1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.55
DRD2 P14416 4/20 0.52
DRD3 P35462 4/20 0.52
ALDH1A1 P00352 2/20 0.51
EPHX2 P34913 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CCR3 P51677 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL31260985 0.93 ALDH1A1 (0.51) DRD4DRD2DRD3ALDH1A1EPHX2
SCHEMBL4024483 0.87 CCR3 (0.64) DRD4DRD3EPHX2CYP1A2CYP3A4
SCHEMBL13865169 0.87 CCR3 (0.64) DRD4DRD3EPHX2CYP1A2CYP3A4
SCHEMBL2769124 0.87 DRD4 (0.61) DRD4DRD2DRD3ALDH1A1EPHX2
SCHEMBL2770194 0.87 DRD4 (0.61) DRD4DRD2DRD3ALDH1A1EPHX2
SCHEMBL5429645 0.87 DRD4 (0.61) DRD4DRD2DRD3ALDH1A1EPHX2
SCHEMBL1502120 0.84 DRD4 (0.59) DRD4DRD2DRD3ALDH1A1EPHX2
SCHEMBL17707604 0.82 HDAC1 (0.54) DRD4DRD2DRD3ALDH1A1EPHX2
SCHEMBL3607018 0.81 DRD4 (0.52) DRD4DRD2DRD3ALDH1A1EPHX2
SCHEMBL1502287 0.81 DRD4 (0.52) DRD4DRD2DRD3ALDH1A1EPHX2

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