SCHEMBL6428374

SCHEMBL6428374

CCC(CO)NCc1ccnc(Oc2c(C)cc(C)cc2C)c1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.38
ALDH1A1 P00352 1/20 0.35
TRPV3 Q8NET8 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
CD274 Q9NZQ7 4/20 0.33
PDCD1 Q15116 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 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
SCHEMBL8344776 0.95 CRHR1 (0.40) CRHR1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL6433393 0.87 HPGD (0.35) CRHR1ALDH1A1
SCHEMBL6429485 0.83 TAS1R3 (0.35) CRHR1ALDH1A1TRPV3TDP1TAS1R3
SCHEMBL6428205 0.81 CRHR1 (0.41) CRHR1
SCHEMBL6428203 0.78 HPGD (0.33) ALDH1A1
SCHEMBL6428379 0.76 CRHR1 (0.42) CRHR1
SCHEMBL8344779 0.72 CRHR1 (0.47) CRHR1ALDH1A1
SCHEMBL5843230 0.72 CRHR1 (0.61) CRHR1
SCHEMBL5843235 0.72 CRHR1 (0.61) CRHR1
SCHEMBL5599406 0.68 CRHR1 (0.69) 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