SCHEMBL6207917

SCHEMBL6207917

O=C(NCc1cccc(CN2CCOCC2)c1)c1c[nH]c2c(F)cccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
HPGD P15428 1/20 0.55
ADORA2A P29274 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRM3 P20309 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
GUSB P08236 4/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK14 Q16539 1/20 0.44
F2 P00734 1/20 0.44
ALOX15 P16050 1/20 0.44
TP53 P04637 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
SCHEMBL6205758 0.90 HPGD (0.58) RAB9AHPGDADORA2AALDH1A1SMN1; SMN2
SCHEMBL6205245 0.89 HPGD (0.55) RAB9AHPGDADORA2AALDH1A1CHRM3
SCHEMBL6205238 0.86 NPC1 (0.55) RAB9AHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL6207397 0.85 MAPT (0.53) RAB9AHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL6205185 0.85 HPGD (0.56) RAB9AHPGDADORA2AALDH1A1CHRM3
SCHEMBL6206287 0.85 HPGD (0.60) RAB9AHPGDADORA2AALDH1A1CHRM3
Hydrochloric Acid SCHEMBL6206718 0.85 NPC1 (0.54) RAB9AHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL6208399 0.83 RAB9A (0.58) RAB9AHPGDALDH1A1GUSB
SCHEMBL6206009 0.82 HPGD (0.58) RAB9AHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL6205565 0.82 POLB (0.62) RAB9AHPGDALDH1A1SMN1; SMN2NPC1

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