SCHEMBL9715562

SCHEMBL9715562

CS(=O)(=O)Nc1ccc2c(c1)CCCC2OC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
NR3C1 P04150 2/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRA2A P08913 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL9520921 0.78 CHRNA7 (0.45) HTR6
SCHEMBL9522319 0.76 KDM5A (0.44) SLC6A4HTR6
SCHEMBL15912442 0.74 CAMK2A (0.44) LMNASLC6A4
Hydrochloric Acid SCHEMBL9523695 0.73 IDO1 (0.42) DRD2DRD1DRD5HTR6
SCHEMBL15220226 0.71 LMNA (0.59) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL30023674 0.71 LMNA (0.64) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL18422825 0.71 LMNA (0.64) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL11219197 0.70 MTNR1B (0.48)
SCHEMBL242245 0.70 IDO1 (0.62) ALDH1A1SMN1; SMN2SLC6A4
Hydrochloric Acid SCHEMBL10753071 0.68 ADRA1A (0.60) HTR1AALDH1A1ADRA2A

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-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed