SCHEMBL6450221

SCHEMBL6450221

CCC(CO)Nc1ccnc(Oc2c(C)cc(Cl)cc2C)c1CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
DYRK3 O43781 2/20 0.32
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
CDK5 Q00535 2/20 0.32
DYRK1A Q13627 2/20 0.32
CDK5R1 Q15078 2/20 0.32
DYRK2 Q92630 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6428305 0.82 CRHR1 (0.44) CRHR1MAPTKMT2A
SCHEMBL6430364 0.79 CRHR1 (0.39) CRHR1
SCHEMBL6429459 0.76 CRHR1 (0.37) CRHR1MAPT
SCHEMBL5843972 0.75 CRHR1 (0.55) CRHR1
SCHEMBL5843479 0.75 CRHR1 (0.70) CRHR1
SCHEMBL5843361 0.75 CRHR1 (0.57) CRHR1
SCHEMBL5845620 0.74 CRHR1 (0.56) CRHR1
SCHEMBL5844022 0.74 CRHR1 (0.53) CRHR1
SCHEMBL5845264 0.73 CRHR1 (0.55) CRHR1
SCHEMBL5843076 0.73 CRHR1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed