SCHEMBL1709217

SCHEMBL1709217

Cc1ccc(C)c(CNCC2CC23CCN(c2ccccc2)CC3)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.48
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FFAR4 Q5NUL3 2/20 0.37
P2RX7 Q99572 1/20 0.36
KCNH2 Q12809 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL1709243 0.88 SCN9A (0.52) SCN9ALMNAKMT2AHTR2AHTR2C
SCHEMBL1709251 0.84 SCN9A (0.54) SCN9AFFAR4KCNH2ALDH1A1KMT2A
SCHEMBL1709240 0.73 SCN9A (0.60) SCN9AALDH1A1KMT2A
SCHEMBL1709237 0.71 SCN9A (0.58) SCN9AHTR2A
SCHEMBL10071960 0.71 SCN9A (0.49) SCN9AP2RX7KCNH2ALDH1A1KMT2A
SCHEMBL10072038 0.70 SCN9A (0.53) SCN9ALMNAALDH1A1TSHRKMT2A
SCHEMBL1709241 0.69 SCN9A (0.54) SCN9AALOX15ALDH1A1
SCHEMBL10071959 0.69 CCR3 (0.51) SCN9AALDH1A1KMT2A
SCHEMBL5013644 0.67 MEN1 (0.47) NPC1RAB9AKMT2A
SCHEMBL1709238 0.66 SCN9A (0.59) SCN9ALMNARAB9AALDH1A1KMT2A

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