SCHEMBL5656029

SCHEMBL5656029

COc1ccccc1NC(=O)OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
LMNA P02545 3/20 0.69
ALOX15 P16050 2/20 0.69
USP2 O75604 1/20 0.69
TP53 P04637 1/20 0.69
POLB P06746 1/20 0.69
HSD17B10 Q99714 1/20 0.69
HTR4 Q13639 1/20 0.61
MAPT P10636 3/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
HTR2A P28223 1/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ABCB1 P08183 2/20 0.54
DRD3 P35462 1/20 0.52
CYP1A2 P05177 1/20 0.51

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
SCHEMBL5655735 0.94 TSHR (0.67) TSHRLMNAALOX15USP2TP53
SCHEMBL5656009 0.87 MEN1 (0.61) TSHRLMNAALOX15USP2TP53
SCHEMBL5658367 0.87 HTR1A (0.61) TP53HTR4MAPTMEN1KMT2A
SCHEMBL5655714 0.86 MEN1 (0.74) TSHRLMNAALOX15USP2HSD17B10
SCHEMBL9559618 0.86 HTR4 (0.60) TSHRLMNAALOX15USP2TP53
SCHEMBL5655862 0.86 NPSR1 (0.59) TSHRTP53POLBHTR4MAPT
SCHEMBL5657587 0.85 HTR2A (0.60) TSHRLMNAALOX15USP2TP53
SCHEMBL5656799 0.83 NPSR1 (0.58) TSHRLMNAHTR4MAPTMEN1
SCHEMBL5658292 0.82 HTR1A (0.63) TP53MAPTMEN1KMT2AL3MBTL1
SCHEMBL5657428 0.82 L3MBTL1 (0.62) HTR4MEN1KMT2AL3MBTL1DRD3

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 5 patents. 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
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
EP-1362041-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF Cerep (FR) 2003-11-19 EP disclosed
WO-2002068399-A1 ARYL CARBAMATE DERIVATIVES, PREPARATION AND USE THEREOF CEREP (FR) 2002-09-06 WO disclosed