SCHEMBL7220635

SCHEMBL7220635

CCC(NC(=O)NC)c1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.41
CD38 P28907 7/20 0.35
MAPK1 P28482 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
SCHEMBL7220332 0.93 CRHR1 (0.49) CRHR1CD38
SCHEMBL7219466 0.89 CRHR1 (0.40) CRHR1CD38
SCHEMBL7228522 0.74 CRHR1 (0.36) CRHR1CD38
SCHEMBL7221799 0.73 CRHR1 (0.48) CRHR1CD38
SCHEMBL7227694 0.72 CRHR1 (0.43) CRHR1
SCHEMBL5599563 0.72 NR4A2 (0.50) CRHR1CD38
SCHEMBL7615502 0.71 CRHR1 (0.60) CRHR1
SCHEMBL5599486 0.70 CRHR1 (0.48) CRHR1
SCHEMBL7609276 0.70 CRHR1 (0.56) CRHR1
SCHEMBL7228514 0.69 CRHR1 (0.61) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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