SCHEMBL7228522

SCHEMBL7228522

CNC(=O)OC(c1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cccc12)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.36
RAD52 P43351 1/20 0.33
CD38 P28907 7/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 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
SCHEMBL7219819 0.93 CRHR1 (0.43) CRHR1RAD52CD38KDM4EMEN1
SCHEMBL7219519 0.91 CRHR1 (0.37) CRHR1CD38KDM4EMEN1KMT2A
SCHEMBL7220635 0.74 CRHR1 (0.41) CRHR1CD38
SCHEMBL7222858 0.74 CRHR1 (0.35) CRHR1
SCHEMBL7226595 0.74 CRHR1 (0.51) CRHR1KDM4EMEN1KMT2A
SCHEMBL7220332 0.67 CRHR1 (0.49) CRHR1CD38KDM4ECYP3A4
SCHEMBL7221799 0.67 CRHR1 (0.48) CRHR1CD38MEN1KMT2ACYP3A4
SCHEMBL7219466 0.67 CRHR1 (0.40) CRHR1CD38KDM4EMEN1KMT2A
SCHEMBL7219475 0.65 CRHR1 (0.44) CRHR1
SCHEMBL5599486 0.64 CRHR1 (0.48) CRHR1KDM4E

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