SCHEMBL8869747

SCHEMBL8869747

O=C(O)CCCN1c2ccccc2Sc2ccc(Cl)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
MAPT P10636 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
CYP2D6 P10635 5/20 0.64
DRD2 P14416 5/20 0.64
CYP1A2 P05177 4/20 0.64
HTR1A P08908 4/20 0.64
CYP2C19 P33261 4/20 0.64
MAPK1 P28482 4/20 0.64
ADRA2A P08913 4/20 0.64
ADRA2B P18089 4/20 0.64
ADRA2C P18825 4/20 0.64
SLC6A2 P23975 4/20 0.64
HTR2A P28223 4/20 0.64
HTR2C P28335 4/20 0.64
SLC6A4 P31645 4/20 0.64
HRH1 P35367 4/20 0.64
DRD3 P35462 4/20 0.64
HTR2B P41595 4/20 0.64
TDP1 Q9NUW8 3/20 0.64

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
SCHEMBL6843471 0.92 LMNA (0.76) LMNAMAPTSMN1; SMN2CYP2D6DRD2
SCHEMBL21525461 0.92 MAPT (0.76) LMNAMAPTSMN1; SMN2CYP2D6DRD2
SCHEMBL502507 0.88 MEN1 (0.81) LMNAMAPTSMN1; SMN2CYP2D6DRD2
SCHEMBL27083995 0.86 CYP2D6 (0.65) LMNAMAPTSMN1; SMN2CYP2D6DRD2
SCHEMBL8520671 0.84 ITGB2 (0.62) LMNAMAPTSMN1; SMN2CYP2D6DRD2
SCHEMBL14697664 0.84 LMNA (0.60) LMNAMAPTSMN1; SMN2CYP2D6DRD2
SCHEMBL5880486 0.84 HDAC3 (0.59) LMNAMAPTSMN1; SMN2CYP2D6DRD2
Perphenazine SCHEMBL246992 0.83 MAPT (0.78) LMNAMAPTSMN1; SMN2CYP2D6DRD2
Perphenazine SCHEMBL1069999 0.83 LMNA (0.78) LMNAMAPTSMN1; SMN2CYP2D6DRD2
SCHEMBL29724166 0.82 CYP2D6 (0.71) LMNAMAPTSMN1; SMN2CYP2D6DRD2

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-5654323-A 2-NITROGEN-CONTAINING FUNCTIONAL GROUP-HALOBENZOTHIAZOLES; ANALGESICS; ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; INHIBITORS OF CYTOKINES (INCLUDING TUMOR NECROSIS FACTOR) AND PHOSPHOLIPASE; SEPTIC SHOCK ADIR ET COMPAGNIE (FR) 1997-08-05 US disclosed
US-5597819-A ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-01-28 US disclosed
US-5550143-A Heterocyclic compounds ADIR ET COMPAGNIE (FR) 1996-08-27 US disclosed