SCHEMBL6162909

SCHEMBL6162909

CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)O)CC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
YAP1 P46937 3/20 0.60
CAPN1 P07384 2/20 0.54
KMT2A Q03164 4/20 0.54
CTSB P07858 2/20 0.53
STS P08842 1/20 0.52
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ATM Q13315 2/20 0.49
CACNA1B Q00975 1/20 0.49
MEN1 O00255 1/20 0.48
PTPN1 P18031 1/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL6162914 1.00 MAPK1 (0.62) MAPK1YAP1CAPN1KMT2ACTSB
SCHEMBL6165580 0.89 MAPK1 (0.75) MAPK1YAP1CAPN1KMT2ASTS
SCHEMBL6165579 0.89 MAPK1 (0.75) MAPK1YAP1CAPN1KMT2ASTS
SCHEMBL6168374 0.85 MAPK1 (0.51) MAPK1YAP1CAPN1KMT2ACTSB
SCHEMBL6168383 0.85 MAPK1 (0.51) MAPK1YAP1CAPN1KMT2ACTSB
SCHEMBL6161724 0.84 MAPK1 (0.50) MAPK1YAP1CAPN1KMT2ACTSB
SCHEMBL6161717 0.84 MAPK1 (0.50) MAPK1YAP1CAPN1KMT2ACTSB
SCHEMBL6166213 0.83 MAPK1 (0.49) MAPK1YAP1CAPN1KMT2ACTSB
SCHEMBL6166209 0.83 MAPK1 (0.49) MAPK1YAP1CAPN1KMT2ACTSB
SCHEMBL6163821 0.82 MAPK1 (0.48) MAPK1YAP1CAPN1KMT2ACTSB

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 4 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
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US 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