SCHEMBL6429458

SCHEMBL6429458

CCCN(CO)c1ccnc(Oc2c(C)cc(C#N)cc2C)c1COC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.35
KCNH2 Q12809 3/20 0.33
RAB9A P51151 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ABCC3 O15438 1/20 0.32
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
ABCB1 P08183 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADORA1 P30542 1/20 0.32
ABCC1 P33527 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
SCHEMBL6429459 0.74 CRHR1 (0.37) CRHR1KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL6798178 0.65 SMN1; SMN2 (0.37) CRHR1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL7605923 0.64 CRHR1 (0.47) CRHR1
SCHEMBL6428630 0.63 MAPT (0.36) CRHR1KMT2AGAA
SCHEMBL6510726 0.60 SLC6A4 (0.35) CRHR1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL5845617 0.60 CRHR1 (0.39) CRHR1
SCHEMBL3347417 0.59 AR (0.48) HCRTR1HCRTR2
SCHEMBL6799761 0.59 CRHR1 (0.37) CRHR1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL6799676 0.59 POLB (0.45) CRHR1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL8824523 0.58 SCN8A (0.37) KCNH2MEN1KMT2A

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