SCHEMBL8341883

SCHEMBL8341883

Cc1cc(C)c(Oc2nc(C)nc(N)c2C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.44
ABCC3 O15438 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD1 P21728 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCC1 P33527 1/20 0.35
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL5845283 0.79 CRHR1 (0.48) CRHR1
SCHEMBL8341880 0.79 CRHR1 (0.44) CRHR1
SCHEMBL5599990 0.73 CRHR1 (0.67) CRHR1
SCHEMBL16606728 0.73 CRHR1 (0.59) CRHR1
SCHEMBL5845672 0.72 CRHR1 (0.41) CRHR1
SCHEMBL5844100 0.70 CRHR1 (0.64) CRHR1
SCHEMBL5843759 0.70 CRHR1 (0.56) CRHR1
SCHEMBL5845956 0.70 CRHR1 (0.40) CRHR1ABCC3ESR1CYP1A2PGR
SCHEMBL8346507 0.70 CRHR1 (0.40) CRHR1
SCHEMBL8139037 0.69 CRHR1 (0.51) 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-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed