SCHEMBL8095852

SCHEMBL8095852

Cc1cc(CC2CCN(Cc3c(F)cccc3C(=O)O)CC2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.47
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
HTR2A P28223 2/20 0.41
HTR4 Q13639 1/20 0.41
DRD2 P14416 1/20 0.40
HRH1 P35367 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8096499 0.79 GAA (0.53) MEN1KMT2AHTR2AHTR4DRD2
SCHEMBL13945353 0.77 S1PR5 (0.43) KDM4EALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL13945391 0.76 S1PR5 (0.39) KDM4EALDH1A1ATMPOLBTSHR
SCHEMBL8095854 0.74 KDM4E (0.46) CCR3KDM4EMEN1KMT2AGRIN1
SCHEMBL8094653 0.73 PDE2A (0.47) KDM4EHTTALDH1A1MAPTATM
SCHEMBL8102227 0.72 GRIN1 (0.42) CCR3KDM4EMEN1KMT2AGRIN1
SCHEMBL8091662 0.70 HRH1 (0.47) CCR3KMT2AALDH1A1HRH1
SCHEMBL13945374 0.69 DCPS (0.60) ATMHTR4
SCHEMBL8092993 0.69 HTR2B (0.44) CCR3GRIN1GRIN2BATMHTR2A
SCHEMBL8101941 0.68 KDM4E (0.45) KDM4EMEN1KMT2AALDH1A1MAPT

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