SCHEMBL30227264

SCHEMBL30227264

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.41
UBE2M P61081 7/20 0.41
DCUN1D1 Q96GG9 7/20 0.41
MCHR1 Q99705 4/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
LTA4H P09960 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1448587 1.00 CCR5 (0.41) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
Hydrochloric Acid SCHEMBL1449812 0.99 CCR5 (0.42) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
SCHEMBL1981093 0.96 UBE2M (0.39) CCR5UBE2MDCUN1D1MCHR1LMNA
Hydrochloric Acid SCHEMBL842054 0.95 CCR5 (0.40) CCR5UBE2MDCUN1D1MCHR1LMNA
SCHEMBL1981028 0.94 UBE2M (0.42) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL843043 0.94 UBE2M (0.41) UBE2MDCUN1D1MCHR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1449792 0.93 CCR5 (0.42) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
SCHEMBL1983004 0.93 MCHR1 (0.39) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
SCHEMBL842452 0.93 MCHR1 (0.39) CCR5UBE2MDCUN1D1MCHR1ALDH1A1
SCHEMBL1981333 0.93 MCHR1 (0.43) UBE2MDCUN1D1MCHR1ALDH1A1LMNA

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-4143235-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION IncellDx, Inc. (US) 2023-03-08 EP disclosed