SCHEMBL1286820

SCHEMBL1286820

O=C(O)C1CC12CCN(c1ccccc1)CC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
USP2 O75604 4/20 0.50
PTPRA P18433 1/20 0.50
SCN9A Q15858 3/20 0.48
SYK P43405 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP2C19 P33261 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
NOTUM Q6P988 1/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 2/20 0.45
AKR1C3 P42330 1/20 0.45
TFPI2 P48307 1/20 0.44

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
SCHEMBL15651304 0.86 GFER (0.46) HRH3USP2SYKALDH1A1CYP2C19
SCHEMBL1286810 0.80 HRH3 (0.50) HRH3USP2SCN9AALDH1A1CYP2C19
SCHEMBL1286789 0.78 HPGD (0.53) HRH3USP2ALDH1A1TSHRTP53
SCHEMBL1286796 0.75 USP2 (0.49) HRH3USP2PTPRASCN9AALDH1A1
SCHEMBL14812968 0.74 CYP3A4 (0.57) USP2ALDH1A1CYP2C19CYP3A4MAPK1
SCHEMBL21726748 0.74 KMT2A (0.42) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL21726745 0.74 KMT2A (0.42) HRH3ALDH1A1MEN1KMT2ALMNA
SCHEMBL4433783 0.74 USP2 (0.54) USP2PTPRAALDH1A1CYP2C19CYP3A4
SCHEMBL1709267 0.73 USP2 (0.44) HRH3USP2PTPRASCN9AALDH1A1
SCHEMBL9432297 0.72 USP2 (0.56) USP2PTPRAALDH1A1CYP2C19CYP3A4

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