SCHEMBL5866752

SCHEMBL5866752

CCCC(CCC)n1c(C)c(C)c2c(Cl)nc(C)nc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
CRHR1 P34998 2/20 0.32
MEN1 O00255 1/20 0.31
NR2F2 P24468 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5866929 0.82 CRHR1 (0.32) CRHR1TDP1TSHR
SCHEMBL7625265 0.67 CRHR1 (0.36) CRHR1MEN1KMT2ATSHR
SCHEMBL7626686 0.66 CDK1 (0.34) CRHR1TDP1
SCHEMBL7216710 0.62 PDK2 (0.33) PDK2CRHR1
SCHEMBL13170602 0.61
SCHEMBL12495762 0.61 PDK2 (0.42) PDK2MEN1KMT2ATSHR
SCHEMBL6092339 0.61 CRHR1 (0.57) CRHR1TDP1
SCHEMBL7540765 0.59 CRHR1 (0.37) CRHR1
SCHEMBL1762903 0.59 CRHR1 (0.46) CRHR1TDP1
SCHEMBL5844067 0.57 PDK2 (0.37) PDK2TDP1

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
US-6992188-B1 Substituted heterocyclic derivatives PFIZER, INC. (US) 2006-01-31 US disclosed
EP-0778277-B1 Substituted heterocyclic derivatives as CRF antagonists PFIZER (US) 2003-06-25 EP disclosed
EP-0778277-A1 Substituted heterocyclic derivatives as CRF antagonists PFIZER INC. (US) 1997-06-11 EP disclosed