SCHEMBL9407974

SCHEMBL9407974

COC(=O)CCc1csc(-c2ccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.49
CHEK2 O96017 3/20 0.49
HDAC1 Q13547 1/20 0.48
SLC2A1 P11166 1/20 0.46
ACKR3 P25106 1/20 0.46
PRMT5 O14744 1/20 0.43

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
Hydrochloric Acid SCHEMBL9408111 0.80 TDP1 (0.47) CHEK2
SCHEMBL22365321 0.77 SLC2A1 (0.61) GPR119CHEK2HDAC1SLC2A1
SCHEMBL7372387 0.77 ITGB3 (0.57) GPR119CHEK2HDAC1
SCHEMBL7835824 0.75 MIF (0.61) GPR119CHEK2HDAC1
SCHEMBL15539074 0.75 GPR119 (0.57) GPR119CHEK2HDAC1
SCHEMBL18842715 0.75 GPR119 (0.57) GPR119CHEK2HDAC1
SCHEMBL391486 0.75 GPR119 (0.51) GPR119SLC2A1ACKR3
SCHEMBL15540227 0.75 CHEK2 (0.53) GPR119CHEK2HDAC1SLC2A1
SCHEMBL7322943 0.74 GPR119 (0.66) GPR119
SCHEMBL241130 0.74 GPR119 (0.59) GPR119CHEK2HDAC1SLC2A1

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
EP-0608858-A1 5-Membered heterocycles as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-08-03 EP disclosed