SCHEMBL6163394

SCHEMBL6163394

CC(C)(N)C(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.46
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
CYP51A1 Q16850 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ACE P12821 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
SCHEMBL6163389 1.00 GHSR (0.46) GHSROPRM1MMP3ITGB2ICAM1
Hydrochloric Acid SCHEMBL6162120 0.99 GHSR (0.46) GHSROPRM1MMP3ITGB2ICAM1
Hydrochloric Acid SCHEMBL6164017 0.99 GHSR (0.46) GHSROPRM1MMP3ITGB2ICAM1
SCHEMBL6161640 0.94 GHSR (0.46) GHSROPRM1MMP3ITGB2ICAM1
SCHEMBL6161645 0.94 GHSR (0.46) GHSROPRM1MMP3ITGB2ICAM1
Hydrochloric Acid SCHEMBL6161099 0.93 GHSR (0.46) GHSROPRM1MMP3ITGB2ICAM1
Hydrochloric Acid SCHEMBL6161103 0.93 GHSR (0.46) GHSROPRM1MMP3ITGB2ICAM1
SCHEMBL6164435 0.90 GHSR (0.53) GHSROPRM1MMP3MEN1KMT2A
SCHEMBL6164427 0.90 GHSR (0.53) GHSROPRM1MMP3MEN1KMT2A
SCHEMBL6160232 0.90 GHSR (0.55) GHSROPRM1MMP3MEN1KMT2A

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