SCHEMBL6206009

SCHEMBL6206009

O=C(NCc1ccc(CN2CCOCC2)cc1)c1c[nH]c2c(Cl)cccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
ALDH1A1 P00352 2/20 0.53
KCNH2 Q12809 5/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
POLA1 P09884 2/20 0.49
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.47
F2 P00734 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6205245 0.93 HPGD (0.55) HPGDALDH1A1KCNH2POLBMAPT
SCHEMBL6204849 0.85 HRH3 (0.60) HPGDALDH1A1POLBMAPTF2
SCHEMBL6205208 0.84 CHRM3 (0.53) HPGDALDH1A1POLBTSHRHRH3
Hydrochloric Acid SCHEMBL6205556 0.84 HRH3 (0.59) HPGDALDH1A1KCNH2POLBMAPT
SCHEMBL6205758 0.83 HPGD (0.58) HPGDALDH1A1KCNH2POLBMAPT
SCHEMBL6207917 0.82 RAB9A (0.56) HPGDALDH1A1POLBMAPTUSP2
SCHEMBL6205197 0.82 POLB (0.61) HPGDALDH1A1KCNH2POLBMAPT
SCHEMBL6206374 0.81 ADORA2A (0.58) HPGDALDH1A1POLBMAPTHSD17B10
SCHEMBL6206360 0.79 ADORA2A (0.51) HPGDALDH1A1POLBHSD17B10NPC1
SCHEMBL6208399 0.79 RAB9A (0.58) HPGDALDH1A1TSHRHRH3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed