SCHEMBL6163749

SCHEMBL6163749

CC(C)(N)C(=O)NC(CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 16/20 0.53
CYP3A4 P08684 7/20 0.53
HSD11B1 P28845 1/20 0.48
PLD2 O14939 1/20 0.47
PLD1 Q13393 1/20 0.47
RAMP1 O60894 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 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
SCHEMBL6162348 1.00 CALCRL (0.53) CALCRLCYP3A4HSD11B1PLD2PLD1
SCHEMBL6161678 0.88 CALCRL (0.47) CALCRLCYP3A4HSD11B1PLD2PLD1
SCHEMBL6161686 0.88 CALCRL (0.47) CALCRLCYP3A4HSD11B1PLD2PLD1
SCHEMBL6164981 0.81 CALCRL (0.75) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL8409918 0.80 HSD11B1 (0.45) CALCRLCYP3A4HSD11B1PLD2PLD1
Hydrochloric Acid SCHEMBL6162097 0.80 CALCRL (0.74) CALCRLCYP3A4HSD11B1RAMP1
Hydrochloric Acid SCHEMBL6161925 0.80 CALCRL (0.74) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6161840 0.80 CALCRL (0.56) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6161834 0.80 CALCRL (0.56) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6164868 0.79 CALCRL (0.60) CALCRLCYP3A4HSD11B1RAMP1

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 3 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 claimed
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