SCHEMBL8095854

SCHEMBL8095854

Cc1cc(CC2CCN(Cc3cccnc3C(=O)O)CC2)c2cccc(F)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
BLM P54132 1/20 0.46
HTR2B P41595 4/20 0.42
HTR3A P46098 4/20 0.42
HTR4 Q13639 4/20 0.42
HTR2C P28335 3/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL13945358 0.85 AR (0.40) KDM4EKMT2AMAPTMEN1HTR2B
SCHEMBL8101941 0.79 KDM4E (0.45) KDM4EKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL8092993 0.78 HTR2B (0.44) HTR2BHTR3AHTR4HTR2CGRIN1
SCHEMBL8102227 0.77 GRIN1 (0.42) KDM4EKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL8102177 0.76 GPR6 (0.47) KDM4EKMT2AMEN1HTR1AATM
SCHEMBL8095852 0.74 CCR3 (0.47) KDM4EKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL8091662 0.71 HRH1 (0.47) KMT2AALDH1A1CCR3HRH1
SCHEMBL8093682 0.71 SCN5A (0.40) KDM4EKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL8102279 0.70 HTR2B (0.42) KMT2AMEN1HTR2BHTR3AHTR4
SCHEMBL8096499 0.68 GAA (0.53) KMT2ASMN1; SMN2MEN1HTR4LMNA

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-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 WO disclosed