SCHEMBL7220066

SCHEMBL7220066

CCC(=O)c1nc(C)nc2c1COCN2c1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.35
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7220502 0.89 CRHR1 (0.32) CRHR1MAPT
SCHEMBL7220552 0.85 CRHR1 (0.32) CRHR1
SCHEMBL7220553 0.85 CRHR1 (0.32) CRHR1
SCHEMBL7220556 0.85 CRHR1 (0.32) CRHR1
SCHEMBL7225765 0.78 CRHR1 (0.33) CRHR1
SCHEMBL7220686 0.75
SCHEMBL7221841 0.73 CRHR1 (0.32) CRHR1
SCHEMBL7614270 0.71 CRHR1 (0.30) CRHR1
SCHEMBL7219383 0.70
SCHEMBL7617928 0.70 CRHR1 (0.30) CRHR1

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
EP-1103553-A2 Substituted heterocyclic derivatives Pfizer Products Inc. (US) 2001-05-30 EP claimed
US-6525067-B1 Corticotropin releasing factor antagonists; such as 1-(2-methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl)-propan-1-one-oxime PFIZER INC 2003-02-25 US disclosed
EP-1103553-A2 Substituted heterocyclic derivatives Pfizer Products Inc. (US) 2001-05-30 EP disclosed