SCHEMBL6163033

SCHEMBL6163033

CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCc2cc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc4C3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
GHSR Q92847 3/20 0.44
OPRM1 P35372 1/20 0.44
CA1 P00915 8/20 0.43
CA9 Q16790 7/20 0.43
CA2 P00918 6/20 0.43
CA7 P43166 5/20 0.43
CA14 Q9ULX7 5/20 0.43
CA12 O43570 2/20 0.42
F10 P00742 1/20 0.41
UGCG Q16739 2/20 0.41
CYP3A4 P08684 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ACE P12821 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6163029 1.00 ITGB2 (0.46) ITGB2ICAM1ITGALGHSROPRM1
Hydrochloric Acid SCHEMBL6162369 0.99 ITGB2 (0.46) ITGB2ICAM1ITGALGHSROPRM1
Hydrochloric Acid SCHEMBL6162115 0.99 ITGB2 (0.46) ITGB2ICAM1ITGALGHSROPRM1
SCHEMBL6165094 0.94 GHSR (0.49) ITGB2ICAM1ITGALGHSROPRM1
SCHEMBL6165098 0.94 GHSR (0.49) ITGB2ICAM1ITGALGHSROPRM1
Hydrochloric Acid SCHEMBL6162898 0.93 GHSR (0.49) ITGB2ICAM1ITGALGHSROPRM1
Hydrochloric Acid SCHEMBL6162564 0.93 GHSR (0.49) ITGB2ICAM1ITGALGHSROPRM1
Hydrochloric Acid SCHEMBL6163215 0.87 MMP2 (0.48) ITGB2ICAM1ITGALGHSROPRM1
Hydrochloric Acid SCHEMBL6163219 0.87 MMP2 (0.48) ITGB2ICAM1ITGALGHSROPRM1
Hydrochloric Acid SCHEMBL6160499 0.86 GHSR (0.49) ITGB2ICAM1ITGALGHSROPRM1

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