SCHEMBL6164342

SCHEMBL6164342

CC(C)(CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
P2RY12 Q9H244 1/20 0.48
CALCRL Q16602 1/20 0.48
SSTR3 P32745 1/20 0.46
ACE P12821 1/20 0.43
TACR1 P25103 1/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
FPR2 P25090 2/20 0.43
CCKAR P32238 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CCKBR P32239 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6164336 1.00 MEN1 (0.50) MEN1KMT2AP2RY12CALCRLSSTR3
SCHEMBL6165907 0.91 MEN1 (0.51) MEN1KMT2AP2RY12CALCRLSSTR3
SCHEMBL6165912 0.91 MEN1 (0.51) MEN1KMT2AP2RY12CALCRLSSTR3
SCHEMBL6161281 0.89 P2RY12 (0.52) MEN1KMT2AP2RY12CALCRLFPR2
SCHEMBL6161284 0.89 P2RY12 (0.52) MEN1KMT2AP2RY12CALCRLFPR2
Hydrochloric Acid SCHEMBL6161916 0.89 P2RY12 (0.51) MEN1KMT2AP2RY12CALCRLFPR2
Hydrochloric Acid SCHEMBL6161920 0.89 P2RY12 (0.51) MEN1KMT2AP2RY12CALCRLFPR2
SCHEMBL6163764 0.85 CALCRL (0.54) MEN1KMT2AP2RY12CALCRLACE
SCHEMBL6163760 0.85 CALCRL (0.54) MEN1KMT2AP2RY12CALCRLACE
SCHEMBL8410120 0.84 SSTR3 (0.39) MEN1KMT2ASSTR3TACR1CTSL

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