SCHEMBL1241645

SCHEMBL1241645

O=C(Cc1ccoc1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
DPP4 P27487 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMT2A Q03164 1/20 0.40
NAAA Q02083 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALOX5 P09917 1/20 0.38
POLB P06746 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
SCHEMBL3673014 0.81 SMN1; SMN2 (0.58) TPSAB1TPSD1TPSG1ALDH1A1DPP4
SCHEMBL92506 0.76 L3MBTL1 (0.63) ALDH1A1SMN1; SMN2HPGDMAPTSIGMAR1
SCHEMBL9090627 0.75 L3MBTL1 (0.61) ALDH1A1SMN1; SMN2HPGDMAPTSIGMAR1
SCHEMBL8934908 0.75 ME2 (0.57) TPSAB1TPSD1TPSG1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL20337874 0.75 L3MBTL1 (0.61) ALDH1A1SMN1; SMN2HPGDMAPTSIGMAR1
SCHEMBL24819373 0.73 SMN1; SMN2 (0.50) TPSAB1TPSD1TPSG1ALDH1A1DPP4
SCHEMBL3528070 0.73 CHRNB2 (0.60) ALDH1A1HPGDSIGMAR1KMT2A
SCHEMBL13858035 0.73 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2NPC1HPGDMAPT
Methyl Alcohol SCHEMBL10623350 0.73 HSD11B1 (0.64) ALDH1A1SMN1; SMN2HPGDMAPTSIGMAR1
Hydrochloric Acid SCHEMBL9951192 0.73 ME2 (0.56) TPSAB1TPSD1TPSG1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP disclosed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed