SCHEMBL6161820

SCHEMBL6161820

O=C(C(COCc1ccccc1)NC(=O)C(F)(F)F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 14/20 0.58
CYP3A4 P08684 6/20 0.54
HSD11B1 P28845 3/20 0.51
RAMP1 O60894 1/20 0.51
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 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
SCHEMBL6162042 1.00 CALCRL (0.58) CALCRLCYP3A4HSD11B1RAMP1LMNA
SCHEMBL6163603 0.90 CALCRL (0.59) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6161636 0.90 CALCRL (0.59) CALCRLCYP3A4HSD11B1RAMP1
Trifluoroacetic Acid SCHEMBL6159842 0.90 CALCRL (0.56) CALCRLCYP3A4HSD11B1RAMP1LMNA
Hydrochloric Acid SCHEMBL6161941 0.90 CALCRL (0.58) CALCRLCYP3A4HSD11B1RAMP1
Hydrochloric Acid SCHEMBL6160811 0.90 CALCRL (0.58) CALCRLCYP3A4HSD11B1RAMP1
Trifluoroacetic Acid SCHEMBL6165360 0.88 CALCRL (0.56) CALCRLCYP3A4HSD11B1RAMP1LMNA
SCHEMBL6161677 0.87 CALCRL (0.57) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6162040 0.86 CALCRL (0.52) CALCRLCYP3A4HSD11B1RAMP1
SCHEMBL6162035 0.86 CALCRL (0.52) 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