SCHEMBL6161636

SCHEMBL6161636

CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 16/20 0.59
CYP3A4 P08684 8/20 0.56
RAMP1 O60894 1/20 0.52
GHSR Q92847 2/20 0.51
HSD11B1 P28845 1/20 0.50

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
SCHEMBL6163603 1.00 CALCRL (0.59) CALCRLCYP3A4RAMP1GHSRHSD11B1
Hydrochloric Acid SCHEMBL6160811 0.99 CALCRL (0.58) CALCRLCYP3A4RAMP1GHSRHSD11B1
Hydrochloric Acid SCHEMBL6161941 0.99 CALCRL (0.58) CALCRLCYP3A4RAMP1GHSRHSD11B1
SCHEMBL6162042 0.90 CALCRL (0.58) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6161820 0.90 CALCRL (0.58) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6160050 0.90 CALCRL (0.54) CALCRLCYP3A4RAMP1HSD11B1
Hydrochloric Acid SCHEMBL6161739 0.90 CALCRL (0.54) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6161677 0.89 CALCRL (0.57) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6162040 0.88 CALCRL (0.52) CALCRLCYP3A4RAMP1HSD11B1
SCHEMBL6162035 0.88 CALCRL (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721455-B9 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2005-04-20 EP claimed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed
EP-0721455-B1 TETRAHYDROPYRIDINE-(OR 4-HYDROXYPIPERIDINE)ALKYLAZOLES HAVING AN AFFINITY FOR SIGMA AND/OR 5HT1A RECEPTORS ESTEVE LABOR DR (ES) 2002-12-11 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