SCHEMBL6162296

SCHEMBL6162296

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(CCCc1ccccc1)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.41
OPRM1 P35372 5/20 0.41
OGFRL1 Q5TC84 5/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 4/20 0.41
BRD4 O60885 1/20 0.41
KMT2A Q03164 2/20 0.40
CCKBR P32239 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
CCR5 P51681 3/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 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
SCHEMBL6162290 1.00 FPR2 (0.41) FPR2OPRM1OGFRL1OPRD1OPRK1
SCHEMBL6165477 0.91 KMT2A (0.49) FPR2OPRM1OGFRL1OPRD1OPRK1
SCHEMBL6165473 0.91 KMT2A (0.49) FPR2OPRM1OGFRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6163290 0.86 BRD4 (0.44) FPR2OPRM1OGFRL1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6163287 0.86 BRD4 (0.44) FPR2OPRM1OGFRL1OPRD1OPRK1
SCHEMBL6165912 0.83 MEN1 (0.51) FPR2KMT2ACCKBR
SCHEMBL6165907 0.83 MEN1 (0.51) FPR2KMT2ACCKBR
SCHEMBL8409763 0.82 OPRM1 (0.40) FPR2OPRM1OGFRL1OPRD1OPRK1
SCHEMBL6179686 0.81 F13A1 (0.49) KMT2ACCKBRMAPK1ITGB3ITGA2B
SCHEMBL6163831 0.78 CALCRL (0.47) FPR2OPRM1OGFRL1OPRD1OPRK1

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-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed