SCHEMBL6161461

SCHEMBL6161461

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.66
CYP3A4 P08684 9/20 0.66
RAMP1 O60894 1/20 0.51
HSD11B1 P28845 1/20 0.45
PLD2 O14939 1/20 0.45
PLD1 Q13393 1/20 0.45

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
SCHEMBL6161465 1.00 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1PLD2
SCHEMBL6167546 0.93 CALCRL (0.72) CALCRLCYP3A4RAMP1HSD11B1PLD2
SCHEMBL6168904 0.91 CALCRL (0.65) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6168909 0.91 CALCRL (0.65) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6159892 0.88 CALCRL (0.59) CALCRLCYP3A4RAMP1
SCHEMBL6159897 0.88 CALCRL (0.59) CALCRLCYP3A4RAMP1
SCHEMBL6164050 0.87 CALCRL (0.75) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6160376 0.87 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6160383 0.87 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6160957 0.87 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1

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