SCHEMBL2447700

SCHEMBL2447700

CCCCOC(=O)N1CCC(c2occc2CO)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
HPGD P15428 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
PDE4B Q07343 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2454973 0.82 CHRM2 (0.45) POLBLMNASMN1; SMN2HRH2HRH1
SCHEMBL2450467 0.82 POLB (0.49) POLBLMNASMN1; SMN2HRH2HRH1
SCHEMBL2453725 0.78 LMNA (0.44) POLBLMNASMN1; SMN2HRH2HRH1
SCHEMBL2447286 0.78 POLB (0.44) POLBLMNASMN1; SMN2HRH2HRH1
SCHEMBL2451330 0.76 LMNA (0.41) POLBLMNASMN1; SMN2HRH2HRH1
SCHEMBL2444427 0.76 LMNA (0.44) POLBLMNASMN1; SMN2HRH2HRH1
SCHEMBL2452852 0.76 LMNA (0.41) POLBLMNASMN1; SMN2HRH2HRH1
SCHEMBL2445428 0.76 CHRM4 (0.51) POLBLMNASMN1; SMN2HRH2HRH1
SCHEMBL8922008 0.74 CHRM4 (0.59) POLBLMNASMN1; SMN2CHRM2CHRM1
SCHEMBL5456459 0.73 LMNA (0.49) POLBLMNASMN1; SMN2HRH2HRH1

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