SCHEMBL6429485

SCHEMBL6429485

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
CRHR1 P34998 1/20 0.30
TRPV3 Q8NET8 1/20 0.30

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 0.86 CRHR1 (0.40) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL6433393 0.84 HPGD (0.35) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6428374 0.83 CRHR1 (0.38) TAS1R3TAS1R1TAS1R2ALDH1A1TDP1
SCHEMBL6428203 0.76 HPGD (0.33) ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL5844876 0.74 CRHR1 (0.50) CRHR1
SCHEMBL5844872 0.74 CRHR1 (0.50) CRHR1
SCHEMBL6428205 0.73 CRHR1 (0.41) MAPTCRHR1
SCHEMBL5843790 0.69 CRHR1 (0.57) CRHR1
SCHEMBL5843668 0.68 CRHR1 (0.50) CRHR1
SCHEMBL5843671 0.68 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-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed