SCHEMBL4566737

SCHEMBL4566737

CC(C)(C)n1ccc(CBr)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CCR1 P32246 1/20 0.31

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
SCHEMBL17264246 0.81 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL24915578 0.81 CYP4F2 (0.42) CYP4F2CYP4A11CCR1
SCHEMBL20462595 0.79 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL11915937 0.79 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL20462578 0.78 CYP4F2 (0.43) CYP4F2CYP4A11
SCHEMBL2455142 0.72 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL15556823 0.72 CASR (0.40) CYP4F2CYP4A11
SCHEMBL3794461 0.71
SCHEMBL19497563 0.71 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL22693610 0.70 HRH1 (0.35) CYP4F2CYP4A11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121638-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed
WO-2008076223-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed