SCHEMBL9687139

SCHEMBL9687139

O=c1ccc2cc(F)c(N3CCNCC3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
OPRL1 P41146 11/20 0.49
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL1082894 0.88 MAPK1 (0.51) KDRDRD2MAPTLMNAGAA
SCHEMBL1082682 0.87 MAPK1 (0.53) DRD2MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1081464 0.84 OPRL1 (0.46) OPRL1DRD2DRD4DRD3MAPT
SCHEMBL1083110 0.84 MAPK1 (0.55) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL4553336 0.78 HRH3 (0.38) MAPK1
SCHEMBL27771950 0.77 HTR3E (0.56) KDROPRL1DRD2DRD3MAPT
SCHEMBL4282461 0.76 MAPK1 (0.40) LMNAMAPK1
SCHEMBL4552745 0.75 WDR5 (0.41) KDRMAPK1
SCHEMBL4553967 0.75 WDR5 (0.41) KDRMAPK1
SCHEMBL4295001 0.75 GRIA1 (0.41) MAPK1

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