SCHEMBL8550546

SCHEMBL8550546

CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.55
OPRM1 P35372 1/20 0.55
KDM4E B2RXH2 1/20 0.53
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
CREBBP Q92793 1/20 0.53
CALCRL Q16602 1/20 0.53
ACE P12821 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
FPR2 P25090 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
SCHEMBL6164896 1.00 GHSR (0.55) GHSROPRM1KDM4EBRD4ALDH1A1
Hydrochloric Acid SCHEMBL6164291 0.99 GHSR (0.54) GHSROPRM1KDM4EBRD4ALDH1A1
Hydrochloric Acid SCHEMBL6162612 0.99 GHSR (0.54) GHSROPRM1KDM4EBRD4ALDH1A1
SCHEMBL6160232 0.91 GHSR (0.55) GHSROPRM1CALCRLACEMEN1
SCHEMBL6160217 0.91 GHSR (0.55) GHSROPRM1CALCRLACEMEN1
SCHEMBL2031392 0.91 PKM (0.53) GHSROPRM1MEN1KMT2APKM
SCHEMBL2031396 0.91 PKM (0.53) GHSROPRM1MEN1KMT2APKM
Hydrochloric Acid SCHEMBL6161051 0.90 GHSR (0.54) GHSROPRM1CALCRLACEMEN1
Hydrochloric Acid SCHEMBL6161057 0.90 GHSR (0.54) GHSROPRM1CALCRLACEMEN1
SCHEMBL6162974 0.89 GHSR (0.55) GHSROPRM1CALCRLACEMEN1

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-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed