SCHEMBL6182182

SCHEMBL6182182

Cc1nc(C2(C#N)CCCCC2)cs1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.35
MBOAT4 Q96T53 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE4A P27815 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM5 P41594 4/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL23973065 0.91 GAA (0.38) MAPK1GAALRRK2ABCG2KDM4E
SCHEMBL21610740 0.75 MAPK1 (0.40) MAPK1HTT
SCHEMBL21610738 0.73 MAPK1 (0.38) MAPK1GRM5
SCHEMBL22931215 0.70
SCHEMBL6184867 0.70 SLC6A2 (0.42) MAPK1
SCHEMBL21610732 0.69 MAPK1 (0.35) MAPK1GRM5
SCHEMBL21610735 0.68 MAPK1 (0.31) MAPK1GAA
SCHEMBL12869685 0.68 MAPK1 (0.34) MAPK1
SCHEMBL21610742 0.67 MAPK1 (0.33) MAPK1GAAKDM4EGRM5
SCHEMBL21610744 0.67 MAPK1 (0.33) MAPK1GAAKDM4EGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO disclosed