SCHEMBL6163821

SCHEMBL6163821

CCNC(=O)c1ccc2c(c1)CN(C(=O)C(Cc1ccc3ccccc3c1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.45
CAPN1 P07384 2/20 0.45
CTSB P07858 2/20 0.45
YAP1 P46937 3/20 0.44
GPR119 Q8TDV5 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
PABPC1 P11940 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CCR1 P32246 1/20 0.40
CACNA1B Q00975 1/20 0.40
STS P08842 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
SCHEMBL6161717 0.92 MAPK1 (0.50) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6161724 0.92 MAPK1 (0.50) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6162910 0.91 MAPK1 (0.48) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL8410099 0.88 MC4R (0.43)
SCHEMBL6166213 0.88 MAPK1 (0.49) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6166209 0.88 MAPK1 (0.49) MAPK1KMT2ACAPN1CTSBYAP1
Hydrochloric Acid SCHEMBL6162871 0.86 MC4R (0.46) CAPN1CTSBCTSSCTSKCCR1
Hydrochloric Acid SCHEMBL6162865 0.86 MC4R (0.46) CAPN1CTSBCTSSCTSKCCR1
SCHEMBL6168383 0.85 MAPK1 (0.51) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6168374 0.85 MAPK1 (0.51) 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 3 patents. 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
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed