SCHEMBL6047657

SCHEMBL6047657

COC1=C(c2cccc(Cl)c2)[CH]CC=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
NR1I3 Q14994 1/20 0.39
MAPK10 P53779 3/20 0.36
SLC6A3 Q01959 4/20 0.36
SLC6A2 P23975 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK14 Q16539 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4145649 0.76 ALOX5 (0.38) NOTUMMAPTTSHRNPC1SMN1; SMN2
SCHEMBL5886818 0.72 CA12 (0.39) MAPTNPC1SMN1; SMN2BACE1ESR2
SCHEMBL5821611 0.72 DYRK1A (0.44) NOTUMNR1I3MAPTSMN1; SMN2GAA
SCHEMBL6047606 0.70 NR1I3 (0.39) NOTUMNR1I3MAPK10SLC6A3SLC6A2
SCHEMBL5887155 0.69 NOTUM (0.36) NOTUMNR1I3MAPK10SLC6A3SLC6A2
SCHEMBL4012821 0.68 ESR2 (0.36) NOTUMNR1I3MAPK10SLC6A3SLC6A2
SCHEMBL5887734 0.67 RORB (0.36) NOTUMPDE10A
SCHEMBL5887105 0.67 ESR2 (0.35) NOTUMNR1I3MAPK10SLC6A3MAPT
SCHEMBL5887750 0.66 MAPK10 (0.38) NOTUMNR1I3MAPK10MAPK9MAPK14
SCHEMBL6047598 0.66 HTR2C (0.39) NOTUMTSHRNPC1SMN1; SMN2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed