SCHEMBL6161971

SCHEMBL6161971

CC(C)(C)OC(=O)N1CCC(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)N2CCC(n3c(C4CC4)nc4ccccc43)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
CYP3A4 P08684 3/20 0.47
CALCRL Q16602 3/20 0.47
KMT2A Q03164 2/20 0.46
OPRM1 P35372 3/20 0.42
OGFRL1 Q5TC84 3/20 0.42
OPRD1 P41143 2/20 0.42
YAP1 P46937 3/20 0.42
CAPN1 P07384 2/20 0.41
PABPC1 P11940 1/20 0.41
OPRK1 P41145 2/20 0.41
CTSB P07858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
STS P08842 1/20 0.40
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39

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
SCHEMBL6161965 1.00 MAPK1 (0.48) MAPK1CYP3A4CALCRLKMT2AOPRM1
SCHEMBL6163907 0.85 CALCRL (0.49) MAPK1CYP3A4CALCRLKMT2AYAP1
SCHEMBL6163334 0.84 CALCRL (0.67) MAPK1CYP3A4CALCRL
SCHEMBL6163332 0.84 CALCRL (0.67) MAPK1CYP3A4CALCRL
SCHEMBL6162890 0.83 MAPK1 (0.57) MAPK1KMT2AOPRM1OGFRL1OPRD1
SCHEMBL6162897 0.83 MAPK1 (0.57) MAPK1KMT2AOPRM1OGFRL1OPRD1
SCHEMBL8412850 0.80 CALCRL (0.50) CYP3A4CALCRLKMT2ACAPN1CTSB
SCHEMBL6165709 0.80 CALCRL (0.50) CYP3A4CALCRLKMT2ACAPN1CTSB
SCHEMBL6162914 0.80 MAPK1 (0.62) MAPK1KMT2AYAP1CAPN1CTSB
SCHEMBL6162909 0.80 MAPK1 (0.62) MAPK1KMT2AYAP1CAPN1CTSB

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