SCHEMBL6163907

SCHEMBL6163907

Cn1c(=O)n(C2CCN(C(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.49
CYP3A4 P08684 3/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 3/20 0.48
CAPN1 P07384 2/20 0.43
CTSB P07858 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
PRKDC P78527 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
YAP1 P46937 3/20 0.42
PABPC1 P11940 1/20 0.42
OPRL1 P41146 1/20 0.42
MEN1 O00255 1/20 0.41
CACNA1B Q00975 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
SCHEMBL6163334 0.87 CALCRL (0.67) CALCRLCYP3A4MAPK1
SCHEMBL6163332 0.87 CALCRL (0.67) CALCRLCYP3A4MAPK1
SCHEMBL6161971 0.85 MAPK1 (0.48) CALCRLCYP3A4MAPK1KMT2ACAPN1
SCHEMBL6161965 0.85 MAPK1 (0.48) CALCRLCYP3A4MAPK1KMT2ACAPN1
SCHEMBL6162914 0.81 MAPK1 (0.62) MAPK1KMT2ACAPN1CTSBLMNA
SCHEMBL6162909 0.81 MAPK1 (0.62) MAPK1KMT2ACAPN1CTSBLMNA
SCHEMBL6168374 0.80 MAPK1 (0.51) MAPK1KMT2ACAPN1CTSBYAP1
SCHEMBL6168383 0.80 MAPK1 (0.51) MAPK1KMT2ACAPN1CTSBYAP1
Hydrochloric Acid SCHEMBL6168825 0.79 CALCRL (0.53) CALCRLCYP3A4OPRL1
SCHEMBL6160925 0.78 HSD11B1 (0.56) CYP3A4PIK3CAMTORPRKDCALDH1A1

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