SCHEMBL2452852

SCHEMBL2452852

CCCCOC(=O)N1CCC(c2cnccc2CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM4 P08173 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOS2 P35228 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL2451330 0.91 LMNA (0.41) LMNAPOLBSMN1; SMN2L3MBTL1HRH2
SCHEMBL2421225 0.81 GPR119 (0.56) GPR119NAMPT
SCHEMBL26124220 0.80 PDE4B (0.43) LMNAPOLBSMN1; SMN2L3MBTL1GPR119
SCHEMBL2447286 0.79 POLB (0.44) LMNAPOLBSMN1; SMN2L3MBTL1HRH2
SCHEMBL2445428 0.78 CHRM4 (0.51) LMNAPOLBSMN1; SMN2L3MBTL1HRH2
SCHEMBL2454702 0.78 CHRM4 (0.46) LMNAPOLBSMN1; SMN2L3MBTL1HRH2
SCHEMBL8306843 0.76 HRH2 (0.46) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL2453725 0.76 LMNA (0.44) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL2447700 0.76 POLB (0.46) LMNAPOLBSMN1; SMN2L3MBTL1HRH2
SCHEMBL2450467 0.76 POLB (0.49) LMNAPOLBSMN1; SMN2L3MBTL1HRH2

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-2550252-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS Theravance, Inc. (US) 2013-01-30 EP disclosed
WO-2011119461-A1 1-(2-PHENOXYMETHYLHETEROARYL)PIPERIDINE AND PIPERAZINE COMPOUNDS THERAVANCE, INC. (US) 2011-09-29 WO disclosed