SCHEMBL6161640

SCHEMBL6161640

CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccc(F)cc12)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.46
SOS1 Q07889 1/20 0.45
CYP51A1 Q16850 1/20 0.45
OPRM1 P35372 1/20 0.45
MMP3 P08254 1/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACE P12821 1/20 0.42
HSD11B1 P28845 1/20 0.42
BCHE P06276 1/20 0.42
CALCRL Q16602 1/20 0.42

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
SCHEMBL6161645 1.00 GHSR (0.46) GHSRSOS1CYP51A1OPRM1MMP3
Hydrochloric Acid SCHEMBL6161099 0.99 GHSR (0.46) GHSRSOS1CYP51A1OPRM1MMP3
Hydrochloric Acid SCHEMBL6161103 0.99 GHSR (0.46) GHSRSOS1CYP51A1OPRM1MMP3
SCHEMBL6160307 0.95 GHSR (0.44) GHSRSOS1CYP51A1OPRM1HSD11B1
SCHEMBL6160306 0.95 GHSR (0.44) GHSRSOS1CYP51A1OPRM1HSD11B1
Hydrochloric Acid SCHEMBL6163645 0.94 GHSR (0.44) GHSRSOS1CYP51A1OPRM1HSD11B1
Hydrochloric Acid SCHEMBL6163650 0.94 GHSR (0.44) GHSRSOS1CYP51A1OPRM1HSD11B1
SCHEMBL6163394 0.94 GHSR (0.46) GHSRCYP51A1OPRM1MMP3ITGB2
SCHEMBL6163389 0.94 GHSR (0.46) GHSRCYP51A1OPRM1MMP3ITGB2
Hydrochloric Acid SCHEMBL6162120 0.93 GHSR (0.46) GHSRCYP51A1OPRM1MMP3ITGB2

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