SCHEMBL6164981

SCHEMBL6164981

CC(C)(N)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.75
CYP3A4 P08684 9/20 0.75
RAMP1 O60894 1/20 0.60
HSD11B1 P28845 1/20 0.52

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
Hydrochloric Acid SCHEMBL6161925 0.99 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6162097 0.99 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6164050 0.90 CALCRL (0.75) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6160964 0.90 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6160957 0.90 CALCRL (0.74) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6168904 0.88 CALCRL (0.65) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6168909 0.88 CALCRL (0.65) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6164873 0.87 CALCRL (0.60) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6164868 0.87 CALCRL (0.60) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6162663 0.86 CALCRL (0.59) 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 claimed