SCHEMBL8065759

SCHEMBL8065759

CCc1ccc(NCCc2c[nH]c3c(C)cccc23)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SOS2 Q07890 1/20 0.43
PCSK9 Q8NBP7 1/20 0.40
NR3C1 P04150 1/20 0.39
CDK2 P24941 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FTO Q9C0B1 1/20 0.38
NR4A2 P43354 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL8066751 0.86 HTR2A (0.55) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8048114 0.84 HTR2A (0.59) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL12811112 0.83 HTR2A (0.51) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8063649 0.81 HTR2A (0.49) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL18784114 0.80 HTR2A (0.56) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL8043018 0.80 MAPT (0.64) HTR2AMAPTSMN1; SMN2NPSR1CDK2
SCHEMBL8044595 0.78 HTR2A (0.53) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL18783078 0.77 HTR2A (0.56) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL16420390 0.75 HTR2A (0.47) HTR2AMAPTSMN1; SMN2NPSR1SOS2
SCHEMBL25029917 0.75 HTR2A (0.63) HTR2AMAPTSMN1; SMN2NPSR1SOS2

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-2009019274-A1 SUBSTITUTED PHENYLENEDIAMINES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-02-12 WO disclosed