SCHEMBL20220512

SCHEMBL20220512

CCC(=O)N(CCOC)C(=O)N(C)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.45
LTB4R2 Q9NPC1 9/20 0.45
NPY5R Q15761 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP2D6 P10635 1/20 0.41
MLYCD O95822 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL21548277 0.86 NPY5R (0.45) LTB4RLTB4R2NPY5ROPRM1OPRD1
SCHEMBL4144964 0.79 LTB4R (0.56) LTB4RLTB4R2NPY5ROPRM1KMT2A
SCHEMBL30443271 0.77 KMT2A (0.53) OPRM1KMT2AMLYCDALOX5
SCHEMBL8274813 0.76 LTB4R (0.54) LTB4RLTB4R2KMT2AALOX5
SCHEMBL14191750 0.73 L3MBTL1 (0.49) OPRM1KMT2AALOX5
SCHEMBL13034052 0.72 LTB4R (0.52) LTB4RLTB4R2NPY5RKMT2AMLYCD
SCHEMBL2097870 0.71 NPY5R (0.56) LTB4RLTB4R2NPY5RKMT2AMLYCD
SCHEMBL15806390 0.71 KCNH2 (0.59)
SCHEMBL1520363 0.70 KMT2A (0.59) LTB4RLTB4R2NPY5RKMT2AMLYCD
SCHEMBL7661443 0.70 NPC1 (0.52) KMT2AALOX5

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-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed