SCHEMBL17534841

SCHEMBL17534841

O=C(CN1CCOCC1)Nc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.72
ALDH1A1 P00352 5/20 0.66
HPGD P15428 3/20 0.66
ALOX15 P16050 1/20 0.66
KDM4E B2RXH2 1/20 0.60
ATM Q13315 1/20 0.57
NPC1 O15118 1/20 0.57
USP2 O75604 1/20 0.57
MAPT P10636 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL12484179 0.85 HRH3 (0.92) HRH3
Suvn-G3031 SCHEMBL12484542 0.84 HRH3 (1.00) HRH3
SCHEMBL15674505 0.84 HRH3 (1.00) HRH3ALDH1A1HPGDALOX15KDM4E
SCHEMBL12484492 0.84 HRH3 (1.00) HRH3
Suvn-G3031 SCHEMBL12486477 0.83 HRH3 (1.00) HRH3
Suvn-G3031 SCHEMBL22186742 0.82 HRH3 (0.98) HRH3
Cadaverine Tartrate SCHEMBL19876799 0.79 HRH3 (0.80) HRH3
SCHEMBL29114487 0.79 HRH3 (0.74) HRH3ALDH1A1HPGDALOX15
Cadaverine Tartrate SCHEMBL20996298 0.79 HRH3 (0.89) HRH3ALDH1A1HPGDALOX15KDM4E
SCHEMBL8799456 0.78 HRH3 (0.49) HRH3HPGDSMN1; SMN2

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-2016027275-A1 PROCESS FOR LARGE SCALE PRODUCTION OF N-[4-(1- CYCLOBUTYL PIPERIDIN-4-YLOXY) PHENYL]-2-(MORPHOLIN-4-YL) ACET AMIDE DIHYDROCHLORIDE SUVEN LIFE SCIENCES LIMITED (IN) 2016-02-25 WO disclosed