SCHEMBL7005086

SCHEMBL7005086

CCCc1scc(Br)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ERN1 O75460 2/20 0.33
PRKDC P78527 1/20 0.32
ALDH1A1 P00352 1/20 0.30
ALDH3A1 P30838 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL7010966 0.73 ADRA1D (0.39)
SCHEMBL29951981 0.68 USP2 (0.40) LMNAALDH1A1ALDH3A1ALDH1A3
SCHEMBL845035 0.68
SCHEMBL29026891 0.67 SMN1; SMN2 (0.45) LMNAALDH1A1
SCHEMBL7014325 0.67 GPR35 (0.33)
SCHEMBL27972246 0.66 ERN1 (0.31) ERN1PRKDC
SCHEMBL7005875 0.64
SCHEMBL17428932 0.63 CYP2A6 (0.36) LMNAALDH1A1
SCHEMBL5803353 0.63 MGLL (0.32) ALDH1A1
SCHEMBL13510846 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690863-B1 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LAB (US) 2003-03-05 EP disclosed
US-5597832-A TREATMENT OF NEUROLOGICAL, PSYCHOLOGICAL, CARDIOVASCULAR DISORDERS, AND SUBSTANCE ABUSE, BEHAVIOR DISORDERS, COGNITIVE IMPAIRMENT AND ATTENTION DEFICIT DISORDER ABBOTT LABORATORIES (US) 1997-01-28 US disclosed