SCHEMBL7220781

SCHEMBL7220781

CNc1cc(C#N)cc(NC(=O)CN(C(=O)OCc2ccccc2)c2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
YAP1 P46937 3/20 0.40
P2RX7 Q99572 1/20 0.38
PRMT5 O14744 4/20 0.38
CETP P11597 3/20 0.36
ALK Q9UM73 1/20 0.36
STS P08842 1/20 0.36

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
SCHEMBL6186688 0.85 GPR119 (0.46) GPR119YAP1P2RX7PRMT5CETP
SCHEMBL6190064 0.79 GPR119 (0.48) GPR119YAP1PRMT5STS
SCHEMBL6187450 0.77 GPR119 (0.47) GPR119YAP1PRMT5STS
SCHEMBL6187724 0.73 GPR119 (0.46) GPR119PRMT5CETPALK
SCHEMBL5868120 0.71 KMT2A (0.52) GPR119YAP1STS
SCHEMBL7220777 0.71 GPR119 (0.50) GPR119YAP1P2RX7PRMT5CETP
SCHEMBL8121326 0.71 GPR119 (0.51) GPR119YAP1CETPALKSTS
SCHEMBL6186695 0.71 GPR119 (0.49) GPR119YAP1P2RX7PRMT5CETP
SCHEMBL6186844 0.71 F10 (0.56) GPR119YAP1P2RX7
SCHEMBL6186841 0.71 F10 (0.56) GPR119YAP1P2RX7

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-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed