SCHEMBL7972113

SCHEMBL7972113

CN(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc5c(c4)OCO5)ccc3S(=O)(=O)CC2)cc1)C1CCC(=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.49
CCR5 P51681 15/20 0.46
ABL1 P00519 2/20 0.38
INSR P06213 2/20 0.38
NPM1 P06748 2/20 0.38
BCR P11274 2/20 0.38
ALK Q9UM73 2/20 0.38
IGF1R P08069 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL7972201 0.93 CCR2 (0.59) CCR2CCR5
SCHEMBL7972715 0.89 CCR2 (0.48) CCR2CCR5
SCHEMBL7969928 0.89 CCR2 (0.59) CCR2CCR5
SCHEMBL7975445 0.88 CCR2 (0.52) CCR2CCR5
SCHEMBL7928486 0.87 CCR2 (0.60) CCR2CCR5
SCHEMBL7968766 0.86 CCR2 (0.51) CCR2CCR5
SCHEMBL7975020 0.85 CCR2 (0.49) CCR2CCR5
SCHEMBL7929528 0.83 CCR2 (0.60) CCR2CCR5
SCHEMBL7972105 0.82 CCR2 (0.62) CCR2CCR5
SCHEMBL7958790 0.82 CCR2 (0.64) CCR2CCR5

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
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed