SCHEMBL28042786

SCHEMBL28042786

CCCCCCCCCCCCC(C)(N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KIF11 P52732 3/20 0.38
KCNN4 O15554 1/20 0.38
HSP90AA1 P07900 1/20 0.38
SGPL1 O95470 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
GPR183 P32249 1/20 0.38
TNNC1 P63316 1/20 0.38
CERS2 Q96G23 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 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
SCHEMBL14938729 1.00 CNR2 (0.42) CNR2CNR1TAAR1SCN5ASCN9A
Bromide SCHEMBL9871488 0.98 CNR2 (0.41) CNR2CNR1TAAR1SCN5ASCN9A
Hydrochloric Acid SCHEMBL631052 0.98 CNR2 (0.41) CNR2CNR1TAAR1SCN5ASCN9A
Hydrochloric Acid SCHEMBL16166619 0.98 CNR2 (0.41) CNR2CNR1TAAR1SCN5ASCN9A
Hydrochloric Acid SCHEMBL2313873 0.98 CNR2 (0.41) CNR2CNR1TAAR1SCN5ASCN9A
SCHEMBL9426651 0.92 TAAR1 (0.43) TAAR1KIF11KCNN4
SCHEMBL8644028 0.85 KIF11 (0.52) TAAR1KIF11KCNN4
SCHEMBL10589325 0.84 SCN5A (0.42) CNR2CNR1SCN5ASCN9AEBP
SCHEMBL1204772 0.84 SCN5A (0.42) CNR2CNR1SCN5ASCN9AEBP
SCHEMBL11757213 0.84 SCN5A (0.42) CNR2CNR1SCN5ASCN9AEBP

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
CN-105263609-A Curable compositions and membranes FUJIFILM MFG EUROPE BV 2016-01-20 CN disclosed