SCHEMBL8202276

SCHEMBL8202276

CCCCC(CC)n1nnc2c(Nc3c(Cl)cc(OC)cc3OC)nc(C)cc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.53
CASP3 P42574 1/20 0.33
PAX8 Q06710 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7535444 0.93 CRHR1 (0.58) CRHR1CASP3PAX8SENP8SENP7
SCHEMBL7626666 0.91 CRHR1 (0.56) CRHR1CASP3PAX8SENP8SENP7
SCHEMBL8204328 0.90 CRHR1 (0.51) CRHR1
SCHEMBL7534580 0.82 CRHR1 (0.56) CRHR1
SCHEMBL7618498 0.81 CRHR1 (0.50) CRHR1
SCHEMBL8204017 0.76 CRHR1 (0.47) CRHR1
SCHEMBL27516758 0.71 CRHR1 (0.71) CRHR1
SCHEMBL5866990 0.70 CRHR1 (0.66) CRHR1
SCHEMBL16606730 0.69 CRHR1 (1.00) CRHR1
SCHEMBL8204559 0.69 CRHR1 (0.50) 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-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed