SCHEMBL9757416

SCHEMBL9757416

O=S1(=O)c2cccc3cccc(c23)N1CCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.61
HTR1A P08908 1/20 0.58
DRD4 P21917 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
SLC6A4 P31645 1/20 0.58
HTR7 P34969 1/20 0.58
DRD3 P35462 1/20 0.58
HTR2B P41595 1/20 0.58
HTR6 P50406 1/20 0.58

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
SCHEMBL9757378 0.90 DRD2 (0.57) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL9757336 0.90 HTR1A (0.49) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL9757403 0.89 DRD2 (0.55) DRD2
SCHEMBL9757367 0.88 DRD2 (0.58) DRD2
SCHEMBL9757300 0.84 KDM4E (0.53) DRD2
SCHEMBL9757339 0.83 HTR1A (0.66) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL9635358 0.81
SCHEMBL7793815 0.79 SLC6A4 (0.80) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL9636836 0.79
SCHEMBL7048455 0.78

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
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed