SCHEMBL9501600

SCHEMBL9501600

O=C(C1CCN(c2ccc(F)cc2)CC1)C1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.68
DEGS1 O15121 1/20 0.55
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
MAPK1 P28482 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 3/20 0.54
TSHR P16473 3/20 0.54
HPGD P15428 2/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
TP53 P04637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
HSD11B1 P28845 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.52

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
Hydrochloric Acid SCHEMBL9499696 0.98 NOTUM (0.66) NOTUMDEGS1ALDH1A1MAPTMAPK1
SCHEMBL1749207 0.87 NOTUM (0.81) NOTUMDEGS1ALDH1A1MAPTMAPK1
SCHEMBL2766365 0.86 NOTUM (0.64) NOTUMDEGS1ALDH1A1MAPTMAPK1
SCHEMBL18395507 0.86 NOTUM (0.64) NOTUMDEGS1ALDH1A1MAPTMAPK1
SCHEMBL16595544 0.84 NOTUM (0.67) NOTUMDEGS1ALDH1A1MAPTMAPK1
SCHEMBL20494916 0.82 NOTUM (0.59) NOTUMDEGS1ALDH1A1MAPTMAPK1
SCHEMBL13896503 0.82 MAPT (0.66) NOTUMDEGS1ALDH1A1MAPTMAPK1
SCHEMBL28292789 0.81 AKR1C3 (0.50) NOTUMALDH1A1MAPTKMT2AAKR1C3
SCHEMBL9500414 0.81 NOTUM (0.68) NOTUMALDH1A1MAPTTSHRMEN1
SCHEMBL16695357 0.81 NOTUM (1.00) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101018769-A Dimeric piperidine derivates JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 CN disclosed
EP-0325268-B1 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-06-02 EP disclosed
US-5162342-A USE OF 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS FOR ANALGESIA AND MUSCLE RELAXATION MERRELL DOW PHARMACEUTICALS INC. (US) 1992-11-10 US disclosed
US-5064838-A 1,4-DISUBSTITUTED-PIPERIDINYL COMPOUNDS AS PAIN RELIEVERS MERRELL DOW PHARMACEUTICALS (US) 1991-11-12 US disclosed
CN-1041363-A PROCESS FOR PREPARING IMIDAZOLE ANTIARRHYTHMICS MERRELL DOW PHARMA (US) 1990-04-18 CN disclosed
CN-1035823-A 1, the 4-Disubstituted-piperidnyl compounds MERRELL DOW PHARMA (US) 1989-09-27 CN disclosed
EP-0325268-A1 1,4-Disubstituted-piperidinyl compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1989-07-26 EP disclosed