SCHEMBL27768787

SCHEMBL27768787

COc1cccc(N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.60
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CACNA1G O43497 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GFER P55789 1/20 0.49
DRD4 P21917 1/20 0.48
TSHR P16473 2/20 0.48
DRD2 P14416 2/20 0.48
KCNH2 Q12809 1/20 0.48
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL27747673 0.90 DRD4 (0.53) SMOMAPTLMNAKDM4EALDH1A1
SCHEMBL4395226 0.88 MAPT (0.67) SMOMAPTLMNAL3MBTL1KDM4E
SCHEMBL4245787 0.88 MAPT (0.67) SMOMAPTLMNAL3MBTL1KDM4E
SCHEMBL4249859 0.86 SLC6A4 (0.51) MAPTLMNAALDH1A1DRD4DRD2
SCHEMBL4254360 0.85 HTR7 (0.56) SMOMAPTLMNAL3MBTL1KDM4E
SCHEMBL4253037 0.84 MAPT (0.60) MAPTLMNAL3MBTL1KDM4EALDH1A1
SCHEMBL4243305 0.83 MAPT (0.48) SMOMAPTLMNAL3MBTL1KDM4E
SCHEMBL4391668 0.81 MAPT (0.54) MAPTLMNAL3MBTL1KDM4EALDH1A1
SCHEMBL4254706 0.81 MAPK1 (0.67) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4395117 0.81 SLC6A2 (0.50) MAPTLMNAL3MBTL1KDM4EALDH1A1

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
CN-101490010-A Compounds and compositions as ITPKB inhibitors IRM LLC (VG) 2009-07-22 CN disclosed