SCHEMBL1709223

SCHEMBL1709223

O=C(c1ccccc1)N1CCC2(CC1)CC2C(=O)N1CCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.48
AVPR2 P30518 1/20 0.48
OXTR P30559 1/20 0.48
AVPR1A P37288 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 1/20 0.47
CNR2 P34972 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
NOTUM Q6P988 1/20 0.46

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
SCHEMBL1286789 0.76 HPGD (0.53) ALDH1A1HPGDTSHR
SCHEMBL6198498 0.76 ALDH1A1 (0.81) POLBHSD17B10ALDH1A1HPGDAVPR2
SCHEMBL29463754 0.76 ALDH1A1 (0.81) POLBHSD17B10ALDH1A1HPGDAVPR2
SCHEMBL7348349 0.71 AVPR2 (0.76) MAPK1HSD17B10ALDH1A1HPGDRECQL
Thiourea SCHEMBL15400235 0.71 ALDH1A1 (0.70) POLBMAPTMAPK1HSD17B10ALDH1A1
SCHEMBL17953083 0.70 ALDH1A1 (0.62) MAPTMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1709233 0.70 ALDH1A1 (0.51) MAPK1HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3136427 0.69 POLB (0.73) POLBHSD17B10ALDH1A1HPGDAVPR2
SCHEMBL2829456 0.69 SMN1; SMN2 (0.77) POLBMAPTMAPK1ALDH1A1HPGD
SCHEMBL29353444 0.69 SMN1; SMN2 (0.77) POLBMAPTMAPK1ALDH1A1HPGD

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