SCHEMBL6161231

SCHEMBL6161231

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.56
OPRL1 P41146 2/20 0.55
OPRM1 P35372 1/20 0.55
OPRK1 P41145 1/20 0.55
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
PLD1 Q13393 1/20 0.52
CYP3A4 P08684 2/20 0.51
HSD11B1 P28845 3/20 0.51
ALDH1A1 P00352 2/20 0.50
PLD2 O14939 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL6161647 1.00 CALCRL (0.56) CALCRLOPRL1OPRM1OPRK1CHRM2
Trifluoroacetic Acid SCHEMBL6161823 0.95 CALCRL (0.53) CALCRLOPRL1OPRM1OPRK1CHRM2
Trifluoroacetic Acid SCHEMBL6162047 0.95 CALCRL (0.53) CALCRLOPRL1OPRM1OPRK1CHRM2
SCHEMBL6164964 0.87 CALCRL (0.54) CALCRLOPRL1OPRM1OPRK1CHRM2
SCHEMBL6164957 0.87 CALCRL (0.54) CALCRLOPRL1OPRM1OPRK1CHRM2
SCHEMBL6163603 0.83 CALCRL (0.59) CALCRLCYP3A4HSD11B1
SCHEMBL6161636 0.83 CALCRL (0.59) CALCRLCYP3A4HSD11B1
SCHEMBL6161820 0.82 CALCRL (0.58) CALCRLOPRL1OPRM1OPRK1CYP3A4
SCHEMBL6162042 0.82 CALCRL (0.58) CALCRLOPRL1OPRM1OPRK1CYP3A4
Hydrochloric Acid SCHEMBL6160811 0.82 CALCRL (0.58) CALCRLCYP3A4HSD11B1

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 claimed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed