SCHEMBL6160874

SCHEMBL6160874

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.58
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AVPR1A P37288 1/20 0.47
CYP3A4 P08684 4/20 0.47
UGCG Q16739 2/20 0.45
PLD2 O14939 3/20 0.45
PLD1 Q13393 3/20 0.45
CHRM1 P11229 1/20 0.43
CTSL P07711 1/20 0.43
HSD11B1 P28845 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
SCHEMBL6160869 1.00 CALCRL (0.58) CALCRLDRD2DRD4SLC6A4HTR7
SCHEMBL8409743 0.93 CALCRL (0.67) CALCRLMEN1KMT2ACYP3A4CTSL
SCHEMBL6159873 0.89 CALCRL (0.64) CALCRLDRD2DRD4SLC6A4HTR7
SCHEMBL6159881 0.89 CALCRL (0.64) CALCRLDRD2DRD4SLC6A4HTR7
SCHEMBL6163303 0.88 CALCRL (0.58) CALCRLMEN1KMT2ACYP3A4CTSL
SCHEMBL6163308 0.88 CALCRL (0.58) CALCRLMEN1KMT2ACYP3A4CTSL
Hydrochloric Acid SCHEMBL6163548 0.88 CALCRL (0.57) CALCRLMEN1KMT2ACYP3A4CTSL
SCHEMBL6163706 0.87 CALCRL (0.58) CALCRLMEN1KMT2AAVPR1ACYP3A4
SCHEMBL6165816 0.86 CALCRL (0.55) CALCRLMEN1KMT2ACYP3A4CTSL
SCHEMBL6165822 0.86 CALCRL (0.55) CALCRLMEN1KMT2ACYP3A4CTSL

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