SCHEMBL6308294

SCHEMBL6308294

CC(C)Oc1cccc(-n2c(NN)nc3ccccc3c2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.63

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
SCHEMBL6278493 0.87 SMN1; SMN2 (0.70)
SCHEMBL8502010 0.85 SMN1; SMN2 (0.56) CCKBR
SCHEMBL6283010 0.84 CCKBR (0.47) CCKBR
SCHEMBL8503645 0.82 SMN1; SMN2 (0.56) CCKBR
SCHEMBL6280169 0.81 KDM4E (0.57)
SCHEMBL6281843 0.81 SMN1; SMN2 (0.57)
SCHEMBL6279307 0.80 KDM4E (0.56)
SCHEMBL6276556 0.79 KDM4E (0.56)
SCHEMBL6276607 0.77 ALDH1A1 (0.65)
SCHEMBL6279765 0.77 MAPT (0.60)

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
US-6897213-B1 Heterocycles as cholecystokinin (CCK) ligands WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-5869665-A REACTING 2-HYDRAZINE PRECURSOR WITH HYDROGEN; CYCLIZATION WARNER-LAMBERT COMPANY (US) 1999-02-09 US disclosed
US-5756502-A APPETITE SUPPRESSANTS AND ANTISECRETORY AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-26 US disclosed
WO-1996020178-A1 NOVEL HETEROCYCLES AS CHOLECYSTOKININ (CCK) LIGANDS WARNER-LAMBERT COMPANY (US) 1996-07-04 WO disclosed