SCHEMBL10656773

SCHEMBL10656773

O=c1ccc2ccc(N3CCN(Cl)CC3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
MAPK1 P28482 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
F11 P03951 1/20 0.41
KCNH2 Q12809 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
AR P10275 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
SCHEMBL6579030 0.85 MAPK1 (0.50) HTR1ASLC6A4SLC6A2SLC6A3MAPK1
SCHEMBL30355131 0.84 HTR3A (0.54) HTR1ASLC6A4SLC6A2SLC6A3MAPK1
SCHEMBL4553001 0.84 HTR3A (0.54) HTR1ASLC6A4SLC6A2SLC6A3MAPK1
SCHEMBL30480900 0.82 MAPK1 (0.59) HTR1ASLC6A4SLC6A2SLC6A3MAPK1
SCHEMBL27771950 0.82 HTR3E (0.56) HTR1ASLC6A4MAPK1CA12CA9
SCHEMBL4553923 0.82 MAPK1 (0.59) HTR1ASLC6A4SLC6A2SLC6A3MAPK1
SCHEMBL31590550 0.80 ALDH1A1 (0.46) HTR1ASLC6A4SLC6A2SLC6A3AR
SCHEMBL16927217 0.75 AR (0.54) HTR1ASLC6A2SLC6A3MAPK1CA12
SCHEMBL1150327 0.74 MAPK1 (0.53) HTR1ASLC6A2SLC6A3MAPK1CA12
Hydrochloric Acid SCHEMBL9727859 0.73 MAPK1 (0.52) HTR1ASLC6A2SLC6A3MAPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62187458-A None JP disclosed
US-4758567-A 7-(4-amino-piperazinyl)- or 7-(4-chloro-piperazinyl)quinolinone and azaquinolinone derivatives and pharmaceutical compositions containing them ROTTAPHARM S.P.A. (IT) 1988-07-19 US disclosed
EP-0224121-A3 7-[4-amino-piperazinyl]- or 7-[4-chloro-piperazinyl]quinolinone derivatives, a process for the preparation thereof and pharmaceutical compositions containing them ROTTAPHARM S.p.A. (IT) 1987-11-11 EP disclosed
JP-S62187458-A 7-(4-AMINO-PIPERAZINYL)- OR 7-(4-CHLORO-PIPERAZINYL)QUINOLINONE AND AZAQUINOLINONE DERIVATIVES, MANUFACTURE AND DRUG COMPOSITION RORER ITALIANA SPA 1987-08-15 JP disclosed
EP-0224121-A2 7-[4-amino-piperazinyl]- or 7-[4-chloro-piperazinyl]quinolinone derivatives, a process for the preparation thereof and pharmaceutical compositions containing them ROTTAPHARM S.p.A. (IT) 1987-06-03 EP disclosed