SCHEMBL7166755

SCHEMBL7166755

N#CCc1cn(C(=O)OCc2ccccc2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.51
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
CTRB1 P17538 1/20 0.40
P2RX4 Q99571 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX3 P56373 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL16399234 0.85 TACR3 (0.53) TACR3KDM1AMAOARCOR1L3MBTL1
SCHEMBL4239275 0.85 TACR3 (0.41) TACR3KDM1AMAOARCOR1L3MBTL1
SCHEMBL2253248 0.83 TACR3 (0.51) TACR3KDM1AMAOARCOR1L3MBTL1
SCHEMBL31186285 0.82 STAT3 (0.52) TACR3KDM1AMAOARCOR1MEN1
SCHEMBL4518718 0.81 STAT3 (0.42) L3MBTL1KMT2ARECQLALDH1A1RAB9A
SCHEMBL12359746 0.81 L3MBTL1 (0.51) TACR3KDM1AMAOARCOR1L3MBTL1
SCHEMBL12359747 0.81 TACR3 (0.52) TACR3KDM1AMAOARCOR1L3MBTL1
SCHEMBL9116988 0.81 TACR3 (0.49) TACR3KDM1AMAOARCOR1L3MBTL1
SCHEMBL7168516 0.80 TACR3 (0.48) TACR3KDM1AMAOARCOR1L3MBTL1
SCHEMBL16398195 0.79 L3MBTL1 (0.49) TACR3KDM1AMAOARCOR1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540192-A 2002-11-26 JP claimed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 EP claimed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 WO claimed
US-6566533-B1 Reacting aza-heterocyclic compounds (indoles and carbazoles) with alkyl- or aryl-halides in the presence of carbon dioxide and alkali carbonate WARNER-LAMBERT COMPANY LLC 2003-05-20 US disclosed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 EP disclosed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 WO disclosed