SCHEMBL4685622

SCHEMBL4685622

O=C1CCCc2nc(-n3cnc(-c4ccccc4)c3)ccc21.O=C1CCCc2nc(C3=NNN(c4cc(-c5cccnc5)cc(C(F)(F)F)c4)N3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.32
BCR P11274 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HSP90AA1 P07900 2/20 0.31
EPHB6 O15197 1/20 0.30
CA12 O43570 1/20 0.30
CACNA1F O60840 1/20 0.30
SLC22A3 O75751 1/20 0.30
STK10 O94804 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LDLR P01130 1/20 0.30
RAF1 P04049 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CSF1R P07333 1/20 0.30
CA3 P07451 1/20 0.30
YES1 P07947 1/20 0.30
LYN P07948 1/20 0.30

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
SCHEMBL4683094 0.90 CYP11B1 (0.35) HCRTR1HCRTR2KITKCNH2
SCHEMBL13707026 0.77 CYP2C19 (0.43) HSP90AA1CYP3A4CLK4
SCHEMBL4679544 0.73 GRM5 (0.45)
SCHEMBL4683032 0.72 CYP19A1 (0.40) HSP90AA1CYP3A4
SCHEMBL4682489 0.71 GRM5 (0.46)
SCHEMBL4683272 0.69 XDH (0.41)
SCHEMBL4680527 0.65 GRM5 (0.42) ABL1BCRHSP90AA1
SCHEMBL13706995 0.65 CYP2C19 (0.41) HSP90AA1CYP3A4CLK4
SCHEMBL4682833 0.65 GRM5 (0.42)
SCHEMBL8283777 0.65 CYP1A2 (0.50) HSP90AA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 EP disclosed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed