SCHEMBL3858728

SCHEMBL3858728

CCC(CC)c1ccc(OC)c2nc(Oc3ccc(Cl)c(CN4CCCC4)c3Cl)n(C)c12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.48
MAOB P27338 1/20 0.33
ADORA2A P29274 1/20 0.33
CASR P41180 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPY1R P25929 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL3199517 0.83 CRHR1 (0.58) CRHR1PDCD1LG2CD274MEN1KMT2A
SCHEMBL3218680 0.80 CRHR1 (0.48) CRHR1PDCD1LG2CD274MEN1KMT2A
SCHEMBL3860001 0.80 CRHR1 (0.55) CRHR1CASR
SCHEMBL3208861 0.75 CRHR1 (0.69) CRHR1PDCD1LG2CD274ALDH1A1TSHR
SCHEMBL3199522 0.75 CRHR1 (0.51) CRHR1CASRALDH1A1KDM4E
SCHEMBL2056029 0.74 CRHR1 (0.53) CRHR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2056027 0.74 CRHR1 (0.81) CRHR1CASRMEN1KMT2AALDH1A1
SCHEMBL3205326 0.74 CRHR1 (0.57) CRHR1CASR
SCHEMBL3860605 0.73 CRHR1 (0.59) CRHR1CASR
SCHEMBL4672562 0.73 CRHR1 (0.68) CRHR1CASR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed