SCHEMBL1035169

SCHEMBL1035169

O=C(Nc1ccc(F)cc1C1CCNCC1)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.48
P2RY14 Q15391 1/20 0.48
RAB9A P51151 1/20 0.45
CSNK1D P48730 2/20 0.44
CSNK1E P49674 2/20 0.44
MAP4K1 Q92918 1/20 0.43
HDAC1 Q13547 4/20 0.42
PLAT P00750 1/20 0.42
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RPS6KA3 P51812 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
SCHEMBL1846198 0.87 P2RY14 (0.49) HTR1FP2RY14RAB9ACSNK1DCSNK1E
SCHEMBL1034199 0.86 SRPK1 (0.51) P2RY14
SCHEMBL2681631 0.85 MAP4K1 (0.46) HTR1FMAP4K1PLATGSK3AGSK3B
Hydrochloric Acid SCHEMBL2480968 0.79 HTR1F (0.44) HTR1FPLATHTR1ASLC6A2SLC6A4
SCHEMBL75151 0.77 CHRM3 (0.43) PLATHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2681577 0.74 MEN1 (0.44) MAP4K1GSK3AGSK3BSLC6A3
SCHEMBL74047 0.73 CCR3 (0.48) HDAC1HDAC3HDAC2NCOR2
SCHEMBL74046 0.73 CCR3 (0.48) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1726316 0.73 SLC6A3 (0.45) HTR1FMAP4K1GSK3AGSK3BSLC6A3
SCHEMBL21201150 0.70 HTT (0.44) RAB9AHDAC1

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
WO-2011003684-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-01-13 WO disclosed