SCHEMBL6615895

SCHEMBL6615895

COC(=O)C1CCN(C(=O)OC(C)(C)C)C(=Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
STS P08842 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GPR119 Q8TDV5 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
KDM1A O60341 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL17158249 0.78 KDM1A (0.49) NPC1RAB9ASMN1; SMN2STSALDH1A1
SCHEMBL12404088 0.75 BRD4 (0.46) SMN1; SMN2STSALDH1A1PTPN2PTPN1
SCHEMBL2770672 0.74 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2STSALDH1A1
SCHEMBL6290081 0.73 MAPT (0.39) NPC1GPR119MAPTKDM4EPKM
SCHEMBL5434164 0.73 MAPT (0.39) NPC1GPR119MAPTKDM4EPKM
SCHEMBL26984184 0.70 NR1H2 (0.47) NPC1RAB9ASMN1; SMN2STSALDH1A1
SCHEMBL27128033 0.70 NR1H2 (0.47) NPC1RAB9ASMN1; SMN2STSALDH1A1
SCHEMBL21494384 0.69 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL28730461 0.69 HSD17B10 (0.41) SMN1; SMN2STSGPR119GAAPTPN2
SCHEMBL6617875 0.68 NR1H2 (0.46) NPC1RAB9ASMN1; SMN2STSALDH1A1

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
EP-1395574-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2004-03-10 EP disclosed
WO-2002094810-A1 4-(PHENYL-PIPERIDIN-4-YLIDENE-METHYL)-BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN, ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2002-11-28 WO disclosed