SCHEMBL7923191

SCHEMBL7923191

O=C(O)[C@@H]1CCCN(CCOCC=C(c2ccccc2)c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.73
ALDH1A1 P00352 2/20 0.73
LMNA P02545 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 1/20 0.73
CYP2C19 P33261 1/20 0.73
HSD17B10 Q99714 1/20 0.73

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
SCHEMBL7923195 1.00 SLC6A1 (0.73) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7917314 0.99 ALDH1A1 (0.73) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7917311 0.99 ALDH1A1 (0.73) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7925310 0.97 SLC6A1 (0.71) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7925305 0.97 SLC6A1 (0.71) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7928780 0.96 ALDH1A1 (0.72) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7928784 0.96 ALDH1A1 (0.72) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7926105 0.91 SLC6A1 (0.61) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8908781 0.91 SLC6A1 (0.61) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL7926102 0.91 SLC6A1 (0.61) SLC6A1ALDH1A1LMNACYP1A2CYP2D6

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 3 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