SCHEMBL7925646

SCHEMBL7925646

CCOC(=O)C1CCCN(CCOCCC(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 2/20 0.73
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 2/20 0.61
HTR7 P34969 2/20 0.58
HTR1A P08908 1/20 0.58
DRD2 P14416 1/20 0.58
HTR2A P28223 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 1/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL7925644 1.00 ALDH1A1 (0.73) ALDH1A1KDM4ESMN1; SMN2HPGDHTR7
SCHEMBL7925246 0.91 KDM4E (0.60) ALDH1A1KDM4EATML3MBTL1
SCHEMBL7925243 0.91 KDM4E (0.60) ALDH1A1KDM4EATML3MBTL1
SCHEMBL7923659 0.89 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDHTR7
SCHEMBL7923661 0.89 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDHTR7
SCHEMBL10967175 0.89 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2HPGDHTR7
SCHEMBL7925381 0.87 SLC6A1 (0.65)
SCHEMBL8088614 0.87 ALDH1A1 (0.75) ALDH1A1KDM4ESMN1; SMN2HPGDATM
SCHEMBL7925377 0.87 SLC6A1 (0.65)
Hydrochloric Acid SCHEMBL7917405 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US claimed
EP-0858339-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1998-08-19 EP claimed
WO-1997017073-A1 A METHOD OF TREATING FILARIAE NOVO NORDISK A/S (DK) 1997-05-15 WO claimed
US-6174898-B1 TREATING FILARIAE IN LYMPHATIC SYSTEM BY ADMINISTERING N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS IN WHICH A SUBSTITUTED ALKYL CHAIN FORMS PART OF N-SUBSTITUENT AND SALTS NOVO NORDISK A/S (DK) 2001-01-16 US disclosed
EP-0502031-B1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND A PHARMACEUTICAL COMPOSITION NOVO NORDISK AS (DK) 1997-08-20 EP disclosed
US-5198451-A Treatment of epilepsy, inhibitors of gamma-aminobutyric acid uptake from synaptic cleft NOVO NORDISK A/S (DK) 1993-03-30 US disclosed