SCHEMBL7220332

SCHEMBL7220332

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.49
TACR3 P29371 4/20 0.34
CTSA P10619 1/20 0.34
CD38 P28907 3/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA2 P47869 1/20 0.33
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
REN P00797 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
SCHEMBL7220635 0.93 CRHR1 (0.41) CRHR1CD38
SCHEMBL7219466 0.90 CRHR1 (0.40) CRHR1TACR3CD38GABRG2GABRB3
SCHEMBL7615502 0.79 CRHR1 (0.60) CRHR1KDM4E
SCHEMBL7609276 0.77 CRHR1 (0.56) CRHR1KDM4E
SCHEMBL7228514 0.77 CRHR1 (0.61) CRHR1GABRG2GABRB3GABRA2KDM4E
SCHEMBL7219819 0.74 CRHR1 (0.43) CRHR1CD38CYP3A4KDM4E
SCHEMBL7226248 0.72 CRHR1 (0.58) CRHR1CD38GABRG2GABRB3GABRA2
SCHEMBL7226595 0.71 CRHR1 (0.51) CRHR1KDM4E
SCHEMBL5599426 0.71 CRHR1 (0.57) CRHR1CD38
SCHEMBL5599396 0.70 CRHR1 (0.53) CRHR1CD38KDM4E

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