SCHEMBL6167546

SCHEMBL6167546

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 16/20 0.72
CYP3A4 P08684 8/20 0.72
RAMP1 O60894 1/20 0.54
HSD11B1 P28845 1/20 0.49
PLD2 O14939 1/20 0.48
PLD1 Q13393 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL6161461 0.93 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1PLD2
SCHEMBL6161465 0.93 CALCRL (0.66) CALCRLCYP3A4RAMP1HSD11B1PLD2
SCHEMBL6163332 0.90 CALCRL (0.67) CALCRLCYP3A4RAMP1
SCHEMBL6163334 0.90 CALCRL (0.67) CALCRLCYP3A4RAMP1
SCHEMBL6164050 0.88 CALCRL (0.75) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6160964 0.88 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6160957 0.88 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6164902 0.87 CALCRL (0.71) CALCRLCYP3A4RAMP1HSD11B1PLD2
Hydrochloric Acid SCHEMBL6161038 0.86 CALCRL (0.70) CALCRLCYP3A4RAMP1HSD11B1PLD2
Hydrochloric Acid SCHEMBL6161043 0.86 CALCRL (0.70) CALCRLCYP3A4RAMP1HSD11B1PLD2

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 2 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