SCHEMBL3863541

SCHEMBL3863541

CCC(CC)c1ccc(OC)c2nc(Oc3cc(C(C)=O)ccc3C)n(C)c12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL3210757 0.94 CRHR1 (0.55) CRHR1SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL3862071 0.78 CRHR1 (0.49) CRHR1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL2056027 0.77 CRHR1 (0.81) CRHR1SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL3206517 0.73 CRHR1 (0.45) CRHR1
SCHEMBL2056029 0.73 CRHR1 (0.53) CRHR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3199522 0.72 CRHR1 (0.51) CRHR1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3214026 0.72 CRHR1 (0.51) CRHR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3207756 0.72 CRHR1 (0.48) CRHR1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL3205326 0.71 CRHR1 (0.57) CRHR1
SCHEMBL3199789 0.71 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 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