SCHEMBL6161888

SCHEMBL6161888

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.51
OPRM1 P35372 1/20 0.51
TACR1 P25103 5/20 0.49
CALCRL Q16602 1/20 0.48
ACE P12821 1/20 0.47
FPR2 P25090 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL6161891 1.00 GHSR (0.51) GHSROPRM1TACR1CALCRLACE
Hydrochloric Acid SCHEMBL6160501 0.99 GHSR (0.51) GHSROPRM1TACR1CALCRLACE
Hydrochloric Acid SCHEMBL6161101 0.99 GHSR (0.51) GHSROPRM1TACR1CALCRLACE
SCHEMBL6164427 0.93 GHSR (0.53) GHSROPRM1CALCRLACEFPR2
SCHEMBL6164435 0.93 GHSR (0.53) GHSROPRM1CALCRLACEFPR2
SCHEMBL6160232 0.92 GHSR (0.55) GHSROPRM1CALCRLACEFPR2
SCHEMBL6160217 0.92 GHSR (0.55) GHSROPRM1CALCRLACEFPR2
Hydrochloric Acid SCHEMBL6161626 0.92 GHSR (0.52) GHSROPRM1CALCRLACEFPR2
Hydrochloric Acid SCHEMBL6165177 0.92 GHSR (0.52) GHSROPRM1CALCRLACEFPR2
Hydrochloric Acid SCHEMBL6161051 0.92 GHSR (0.54) GHSROPRM1CALCRLACEFPR2

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 1 patent. 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