SCHEMBL7277950

SCHEMBL7277950

c1ccc(CCCC2SCCCS2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
TAAR1 Q96RJ0 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL3358349 0.84 SIGMAR1 (0.54)
SCHEMBL4258936 0.80 KDM4E (0.44)
SCHEMBL3090521 0.76 FAAH (0.50) FAAH
SCHEMBL10642932 0.75 TAAR1 (0.45) TAAR1CYP19A1
SCHEMBL7103234 0.71 SLC18A3 (0.62)
SCHEMBL31490479 0.70 SLC18A3 (0.57)
SCHEMBL7419921 0.69 SLC18A3 (0.60)
Ammonia Solution, Strong SCHEMBL20702116 0.69 SLC18A3 (0.56)
SCHEMBL2440428 0.69 SLC18A3 (0.60)
SCHEMBL9133642 0.69 SLC18A3 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 US disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed