SCHEMBL8478708

SCHEMBL8478708

NC1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.53
SLC6A3 Q01959 4/20 0.53

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
Hydrochloric Acid SCHEMBL18662772 0.98 SLC6A4 (0.52) SLC6A4SLC6A3
SCHEMBL4125543 0.98 SLC6A4 (0.57) SLC6A4SLC6A3
SCHEMBL1492744 0.95 SLC6A4 (0.48) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL18742808 0.93 SLC6A4 (0.47) SLC6A4SLC6A3
SCHEMBL668905 0.90 SLC6A4 (0.47) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1919156 0.88 SLC6A4 (0.45) SLC6A4SLC6A3
SCHEMBL17680402 0.84 SLC6A4 (0.42) SLC6A4SLC6A3
SCHEMBL1057221 0.80 DRD2 (0.60) SLC6A4SLC6A3
SCHEMBL8155581 0.80 ALDH1A1 (0.41) SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4869686 0.79 DRD2 (0.58) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101208010-A Beta-lactamylalkanoic acids for the treatment of premenstrual disorders AZEVAN PHARMACEUTICALS INC (US) 2008-06-25 CN disclosed
US-5998427-A REDUCTASE INHIBITOR GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
EP-0783001-B1 Androstenones GLAXO WELLCOME INC (US) 1999-11-17 EP disclosed
US-5977126-A ANTIANGROGENS, ENZYME INHBITORS GLAXO WELLCOME INC. (US) 1999-11-02 US disclosed
US-5817818-A THERAPY OF ANDROGEN RESPONSIVE DISEASES GLAXO WELLCOME INC. (US) 1998-10-06 US disclosed
EP-0719277-B1 ANDROSTENONES GLAXO WELLCOME INC (US) 1997-12-17 EP disclosed
EP-0783001-A1 Androstenones GLAXO WELLCOME INC. (US) 1997-07-09 EP disclosed
EP-0719277-A1 ANDROSTENONES GLAXO WELLCOME INC. (US) 1996-07-03 EP disclosed
WO-1995007926-A1 ANDROSTENONES GLAXO WELLCOME INC. (US) 1995-03-23 WO disclosed
US-4061746-A Lactamimide inhibitors of gastrointestinal hypersecretion RICHARDSON-MERRELL INC. (US) 1977-12-06 US disclosed