SCHEMBL8880893

SCHEMBL8880893

O=C1Nc2cc(-c3ccccc3)ccc2CCC1(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 7/20 0.48
TDP2 O95551 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
PGR P06401 4/20 0.42
TYRO3 Q06418 1/20 0.41
NTRK2 Q16620 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PDE7A Q13946 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7426931 0.79 NPC1 (0.53) OTUD7BKDM4EMEN1NPC1MAPT
SCHEMBL8882577 0.78 OTUD7B (0.44) OTUD7BTDP2MAOAMAOBPGR
SCHEMBL8882372 0.74 MAPT (0.62) OTUD7BTDP2MAOAMAOBPGR
SCHEMBL7434341 0.73 OTUD7B (0.49) OTUD7BMAOAMAOBPDE7AALDH1A1
SCHEMBL4408889 0.73 TDP2 (0.65) TDP2MAOAMAOBPGRTYRO3
SCHEMBL17310831 0.72 TDP2 (0.42) OTUD7BTDP2MAOAMAOBTYRO3
SCHEMBL15414847 0.72 TDP2 (0.42) OTUD7BTDP2MAOAMAOBTYRO3
SCHEMBL4718616 0.67 KDM4E (0.63) TDP2MAOAMAOBTYRO3NTRK2
SCHEMBL15415003 0.67 TDP2 (0.40) OTUD7BTDP2MAOAMAOBPGR
SCHEMBL3310832 0.67 MAOB (0.58) OTUD7BMAOAMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679671-A ANGIOTENSIN 1-CONVERTING ENZYME INHIBITOR, VASOPRESSIN ANTAGONISM AND ATRIAL NAUTRIURETIC PEPTIDE HYDROLASE INHIBITOR EISAI CO., LTD. (JP) 1997-10-21 US disclosed
EP-0671172-A1 AMINO ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-09-13 EP disclosed