SCHEMBL7401581

SCHEMBL7401581

COc1ccc(C2CCN(CCCC(=O)c3cccnc3)CCS2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 1/20 0.48
HRH1 P35367 3/20 0.46
HRH2 P25021 2/20 0.46
KMT2A Q03164 2/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
HTR1A P08908 3/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
TBXAS1 P24557 1/20 0.41
DRD4 P21917 1/20 0.40

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
SCHEMBL7401016 0.73 DRD2 (0.66) DRD2SLC6A4
SCHEMBL7453229 0.72 HDAC1 (0.48) HRH1HRH2KMT2ADRD2DRD3
SCHEMBL7450601 0.72 HDAC1 (0.48) HRH1HRH2KMT2ADRD2DRD3
SCHEMBL7445946 0.72 HDAC1 (0.48) HRH1HRH2KMT2ADRD2DRD3
SCHEMBL7402278 0.71 DRD2 (0.50) KMT2ADRD2
SCHEMBL15988693 0.70 LMNA (0.70) KMT2ATBXAS1
SCHEMBL7450828 0.69 HDAC1 (0.50) HRH1HRH2KMT2ADRD2DRD3
SCHEMBL7447765 0.69 HDAC1 (0.50) HRH1HRH2KMT2ADRD2DRD3
SCHEMBL7447775 0.69 HDAC1 (0.50) HRH1HRH2KMT2ADRD2DRD3
SCHEMBL7446680 0.68 HTR1A (0.47) HRH1HRH2KMT2ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5206233-A Antidepressants, antiischemic agents WARNER-LAMBERT COMPANY (US) 1993-04-27 US claimed
WO-1993004053-A1 SUBSTITUTED THIAZEPINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-04 WO claimed
US-5206233-A Antidepressants, antiischemic agents WARNER-LAMBERT COMPANY (US) 1993-04-27 US disclosed
WO-1993004053-A1 SUBSTITUTED THIAZEPINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed