SCHEMBL19251067

SCHEMBL19251067

CCCCCCCC(C)(C)c1cncc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 0.45
CNR1 P21554 17/20 0.45

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
SCHEMBL22752310 1.00 CNR2 (0.45) CNR2CNR1
SCHEMBL19139344 0.93 CNR2 (0.38) CNR2CNR1
SCHEMBL19251066 0.86 HCAR2 (0.32) CNR2CNR1
SCHEMBL19176941 0.84 CNR2 (0.35) CNR2CNR1
SCHEMBL20869384 0.82 CNR2 (0.53) CNR2CNR1
SCHEMBL22752547 0.81 CNR2 (0.45) CNR2CNR1
SCHEMBL19251551 0.79 HCAR2 (0.34)
SCHEMBL20927117 0.78 CNR2 (0.47) CNR2CNR1
SCHEMBL22752359 0.77 TLR8 (0.35)
SCHEMBL22752346 0.76 HCAR2 (0.32)

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-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed