SCHEMBL5656027

SCHEMBL5656027

COc1ccccc1N(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALOX15 P16050 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 2/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 2/20 0.53
HTR4 Q13639 1/20 0.52
DRD3 P35462 2/20 0.50
DRD2 P14416 1/20 0.50
ABCB1 P08183 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49

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
SCHEMBL5655728 0.94 TSHR (0.55) TSHRLMNAMAPTHTTSMN1; SMN2
SCHEMBL5658365 0.87 HTR1A (0.56) MAPTTP53DRD3DRD2HTR2A
SCHEMBL5655859 0.87 GFER (0.55) MAPTPOLBTP53DRD3HTR2A
SCHEMBL5655713 0.86 MEN1 (0.57) TSHRLMNAMAPTALOX15USP2
SCHEMBL5656003 0.86 KCNH2 (0.52) MAPTHTTPOLBTP53HSD17B10
SCHEMBL5657582 0.85 LMNA (0.55) LMNAMAPTKDM4ETP53HSD17B10
SCHEMBL5656794 0.83 HTR1A (0.54) MAPTPOLBDRD2
SCHEMBL5658289 0.82 HTR1A (0.58) MAPTTP53DRD3DRD2HTR2A
SCHEMBL5657422 0.81 HTR1A (0.57) MAPTHTTKDM4EPOLBSIGMAR1
SCHEMBL5655788 0.81 POLB (0.51) TSHRLMNAMAPTPOLBDRD3

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
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed