SCHEMBL27747673

SCHEMBL27747673

COc1cccc(N2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GFER P55789 1/20 0.52
DRD2 P14416 2/20 0.51
KCNH2 Q12809 1/20 0.51
MAPT P10636 5/20 0.51
TSHR P16473 1/20 0.51
SMO Q99835 1/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR7 P34969 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL27768787 0.90 SMO (0.60) DRD4KDM4EALDH1A1SMN1; SMN2GFER
SCHEMBL15938281 0.80 HTR7 (0.73) DRD4KDM4EALDH1A1SMN1; SMN2DRD2
SCHEMBL29764262 0.80 HTR7 (0.73) DRD4KDM4EALDH1A1SMN1; SMN2DRD2
SCHEMBL4250371 0.80 HTR7 (0.65) DRD4KDM4EALDH1A1SMN1; SMN2DRD2
SCHEMBL12204385 0.79 MEN1 (0.60) DRD4KDM4EALDH1A1GFERDRD2
SCHEMBL18409588 0.78 DRD4 (0.66) DRD4KDM4EALDH1A1SMN1; SMN2GFER
SCHEMBL4245787 0.78 MAPT (0.67) DRD4KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4395226 0.78 MAPT (0.67) DRD4KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL27395911 0.77 DRD4 (0.55) DRD4KDM4EALDH1A1SMN1; SMN2GFER
SCHEMBL4251913 0.77 HTR7 (0.67) DRD4KDM4EALDH1A1SMN1; SMN2DRD2

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