SCHEMBL1286785

SCHEMBL1286785

CN(C)c1ccc(C(=O)NC2CC23CCN(c2cc(F)cc(F)c2)CC3)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 1.00
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPY5R Q15761 8/20 0.35
▸ SETD2 Q9BYW2 1/20 0.33
▸ FFAR4 Q5NUL3 3/20 0.33
▸ HTR1A P08908 1/20 0.32

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
SCHEMBL1709226 0.84 SCN9A (1.00) SCN9AFFAR4
SCHEMBL10072357 0.79 SCN9A (0.88) SCN9AMAPTHTTSMN1; SMN2NPSR1
SCHEMBL1286795 0.79 SCN9A (1.00) SCN9AMAPTLMNAHTTSMN1; SMN2
SCHEMBL1709219 0.71 SCN9A (0.74) SCN9ALMNAPOLB
SCHEMBL1709230 0.71 SCN9A (0.61) SCN9AHTT
SCHEMBL1286845 0.68 SCN9A (0.66) SCN9ALMNAPOLB
SCHEMBL1709228 0.68 SCN9A (0.69) SCN9ALMNASMN1; SMN2NPSR1HTR1A
SCHEMBL10072037 0.68 SCN9A (0.62) SCN9AMAPTPOLB
SCHEMBL10072167 0.67 SCN9A (0.61) SCN9APOLB
SCHEMBL1286821 0.67 SCN9A (0.61) SCN9AMAPTPOLBSMN1; SMN2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012047703-A2 CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2012-04-12 — — WO claimed
WO-2012047703-A2 CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2012-04-12 — — WO disclosed
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