SCHEMBL2666468

SCHEMBL2666468

C=C(O)CCNC(=C)c1ccc(C(CC(=O)c2ccc(Cl)c(Cl)c2)C(=O)c2ccc(CC(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 4/20 0.37
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ POLB P06746 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
SCHEMBL2666436 0.81 KMO (0.38) KMO
SCHEMBL2666378 0.74 SERPINE1 (0.39) KMOEPHX2POLB
SCHEMBL2656373 0.72 TRPV1 (0.55) CYP2C9TRPV1
SCHEMBL2666389 0.72 TAS1R3 (0.36) POLB
SCHEMBL2656002 0.72 RHOC (0.43) —
SCHEMBL2660011 0.72 GCGR (0.46) KMO
SCHEMBL6755575 0.71 GCGR (0.51) EPHX2NR1H4
SCHEMBL11521484 0.70 KMO (0.56) KMO
SCHEMBL2666388 0.70 KMT2A (0.43) CYP2C9CYP2C19
SCHEMBL6754632 0.70 GCGR (0.48) CYP2C9CYP2C19

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
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 — — WO disclosed
Send feedback