SCHEMBL7426154

SCHEMBL7426154

O=S(=O)(NCCN1C[CH]CCC1)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.61
ALDH1A1 P00352 3/20 0.58
POLB P06746 1/20 0.57
HTR1A P08908 5/20 0.55
ADRA2A P08913 1/20 0.55
HTR6 P50406 5/20 0.53
DRD2 P14416 3/20 0.53
HTR2A P28223 3/20 0.53
SLC6A4 P31645 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2C P28335 2/20 0.49

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
SCHEMBL6340577 0.87 HTR7 (0.70) HTR7ALDH1A1POLBHTR1AADRA2A
SCHEMBL6337236 0.86 HTR7 (0.68) HTR7ALDH1A1POLBHTR1AADRA2A
SCHEMBL6338842 0.80 POLB (0.80) HTR7POLBHTR1AADRA2AHTR6
SCHEMBL9895010 0.79 HTR7 (0.65) HTR7ALDH1A1POLBHTR1AADRA2A
SCHEMBL6341348 0.79 POLB (0.74) HTR7POLBHTR1AADRA2AHTR6
SCHEMBL24069077 0.77 HTR7 (0.87) HTR7ALDH1A1POLBHTR1AADRA2A
SCHEMBL25758471 0.75 HTR7 (0.60) HTR7ALDH1A1POLBHTR1AADRA2A
SCHEMBL25284446 0.74 HTR7 (0.72) HTR7POLBHTR1AADRA2AHTR6
SCHEMBL25248038 0.74 HTR7 (0.63) HTR7ALDH1A1POLBHTR1AADRA2A
SCHEMBL10194535 0.72 POLB (0.74) HTR7POLBHTR1AADRA2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000003987-A1 1,4-DIHYDROPYRIDINES AS CALCIUM BLOCKERS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed