SCHEMBL6166213

SCHEMBL6166213

CC(C)(C)OC(=O)N1CCC(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)N2Cc3ccc(N)cc3C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.47
NR1H2 P55055 1/20 0.46
CAPN1 P07384 3/20 0.46
CTSB P07858 2/20 0.45
YAP1 P46937 3/20 0.44
STS P08842 1/20 0.42
PABPC1 P11940 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CACNA1B Q00975 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6166209 1.00 MAPK1 (0.49) MAPK1KMT2ANR1H2CAPN1CTSB
SCHEMBL6161724 0.90 MAPK1 (0.50) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6161717 0.90 MAPK1 (0.50) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6168383 0.88 MAPK1 (0.51) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6168374 0.88 MAPK1 (0.51) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6163821 0.88 MAPK1 (0.48) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL8412367 0.87 TACR1 (0.45) NR1H2
SCHEMBL6162910 0.87 MAPK1 (0.48) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6161443 0.84 P2RX7 (0.47) MAPK1KMT2ASTSALDH1A1F10
SCHEMBL6162909 0.83 MAPK1 (0.62) MAPK1KMT2ACAPN1CTSBYAP1

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