SCHEMBL8344779

SCHEMBL8344779

CCC(CC)Nc1c(C)cnc(Oc2c(C)cc(C)cc2C)c1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.47
NR3C1 P04150 2/20 0.38
NR3C2 P08235 2/20 0.38
ALDH1A1 P00352 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL6428379 0.95 CRHR1 (0.42) CRHR1NR3C1NR3C2
SCHEMBL6428206 0.79 SCN9A (0.35)
SCHEMBL5599406 0.77 CRHR1 (0.69) CRHR1
SCHEMBL8344776 0.75 CRHR1 (0.40) CRHR1NR3C1NR3C2ALDH1A1PGR
SCHEMBL6430833 0.74 CRHR1 (0.52) CRHR1
SCHEMBL6393222 0.73 CRHR1 (0.44) CRHR1
SCHEMBL5843235 0.73 CRHR1 (0.61) CRHR1
SCHEMBL5843230 0.73 CRHR1 (0.61) CRHR1
SCHEMBL6428374 0.72 CRHR1 (0.38) CRHR1ALDH1A1
SCHEMBL6428447 0.72 CRHR1 (0.52) 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