SCHEMBL6165816

SCHEMBL6165816

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 3/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 2/20 0.44
CYP3A4 P08684 2/20 0.44
SSTR3 P32745 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
FPR2 P25090 1/20 0.43
CCKAR P32238 1/20 0.43

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
SCHEMBL6165822 1.00 CALCRL (0.55) CALCRLMEN1KMT2ACTSLCYP3A4
SCHEMBL8409743 0.90 CALCRL (0.67) CALCRLMEN1KMT2ACTSLCYP3A4
SCHEMBL6164093 0.89 CALCRL (0.60) CALCRLCYP3A4FPR2
SCHEMBL6164090 0.89 CALCRL (0.60) CALCRLCYP3A4FPR2
SCHEMBL6163303 0.89 CALCRL (0.58) CALCRLMEN1KMT2ACTSLCYP3A4
SCHEMBL6163308 0.89 CALCRL (0.58) CALCRLMEN1KMT2ACTSLCYP3A4
Hydrochloric Acid SCHEMBL6163548 0.88 CALCRL (0.57) CALCRLMEN1KMT2ACTSLCYP3A4
Hydrochloric Acid SCHEMBL6159774 0.88 CALCRL (0.60) CALCRLCYP3A4FPR2
Hydrochloric Acid SCHEMBL6159779 0.88 CALCRL (0.60) CALCRLCYP3A4FPR2
SCHEMBL6163594 0.88 MEN1 (0.49) CALCRLMEN1KMT2ACTSLSSTR3

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