SCHEMBL6161549

SCHEMBL6161549

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N2CCCC2)(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.51
OPRM1 P35372 1/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
ACE P12821 1/20 0.49
UGCG Q16739 2/20 0.48
CYP3A4 P08684 1/20 0.48
CCKBR P32239 3/20 0.47
TACR2 P21452 2/20 0.47
TACR1 P25103 2/20 0.47
PKM P14618 1/20 0.46
CALCRL Q16602 1/20 0.45
SSTR2 P30874 1/20 0.44
P2RY12 Q9H244 1/20 0.44

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
SCHEMBL6161552 1.00 GHSR (0.51) GHSROPRM1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6163069 0.99 GHSR (0.50) GHSROPRM1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6163630 0.99 GHSR (0.50) GHSROPRM1MMP2MMP9MMP8
SCHEMBL6163927 0.93 MMP2 (0.52) GHSROPRM1MMP2MMP9MMP8
SCHEMBL6163934 0.93 MMP2 (0.52) GHSROPRM1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6165097 0.92 MMP2 (0.52) GHSROPRM1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6164382 0.92 MMP2 (0.52) GHSROPRM1MMP2MMP9MMP8
SCHEMBL6161913 0.92 GHSR (0.54) GHSROPRM1MMP2MMP9MMP8
SCHEMBL6161921 0.92 GHSR (0.54) GHSROPRM1MMP2MMP9MMP8
Hydrochloric Acid SCHEMBL6165301 0.90 GHSR (0.52) GHSROPRM1MMP2MMP9MMP8

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