SCHEMBL14747474

SCHEMBL14747474

C#Cc1ccc(C)nc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL2739656 0.80 HRH4 (0.41) RAB9A
SCHEMBL4736856 0.76 CCR1 (0.40) CCR1RAB9ACCR5
SCHEMBL21718933 0.72 CCR1 (0.37) CCR1RAB9ACCR5
SCHEMBL21718453 0.72 CCR1 (0.40) CCR1RAB9ACCR5
SCHEMBL22828436 0.71 KDM4E (0.36) CCR1RAB9ACCR5
SCHEMBL509667 0.71 NOS3 (0.37) CCR1RAB9ACCR5
SCHEMBL8395047 0.70 CCR1 (0.39) CCR1RAB9ACCR5
SCHEMBL21719120 0.68 CCR1 (0.37) CCR1RAB9ACCR5
SCHEMBL11954928 0.68 ALDH1A1 (0.47) CCR1RAB9ACCR5
SCHEMBL20457060 0.68 CCR1 (0.37) CCR1RAB9ACCR5

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-8389516-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-03-05 US disclosed