SCHEMBL9628523

SCHEMBL9628523

S=c1sc2ccccc2n1CN(C1CCCCC1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10877328 0.77 DRD2 (0.37) DRD2SLC6A4SLC6A3
SCHEMBL9628582 0.72 ALDH1A1 (0.49) DRD2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL9628803 0.72 ALDH1A1 (0.43) DRD2SLC6A4SLC6A3CYP1A2ALDH1A1
SCHEMBL9628979 0.70 ALDH1A1 (0.41) DRD2SLC6A4SLC6A3CYP1A2ALDH1A1
SCHEMBL9628230 0.70 L3MBTL1 (0.45) DRD2SLC6A4SLC6A3CYP1A2CYP2D6
SCHEMBL9628249 0.69 DRD2 (0.51) DRD2SLC6A4SLC6A3CYP1A2ALDH1A1
SCHEMBL3393854 0.69 ALDH1A1 (0.48) DRD2SLC6A4SLC6A3CYP1A2ALDH1A1
SCHEMBL513869 0.69 ALDH1A1 (0.48) DRD2SLC6A4SLC6A3CYP1A2ALDH1A1
SCHEMBL8079249 0.69 ALDH1A1 (0.51) DRD2SLC6A4SLC6A3CYP1A2ALDH1A1
SCHEMBL9692934 0.69 DRD2 (0.46) DRD2SLC6A4SLC6A3CYP1A2ALDH1A1

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
EP-0203033-B1 AMINO ETHYL DERIVATIVE OF BENZOTHIAZOLINTHION AS A LUBRICANT ADDITIVE CIBA-GEIGY AG (CH) 1992-03-11 EP disclosed
US-4803001-A RESISTANT TO FRICTION, WEAR, CORROSION AND OXIDATION CIBA-GEIGY CORPORATION (US) 1989-02-07 US disclosed
US-4737302-A Aminomethyl derivatives of benzothiazolinethione as lubricant additives CIBA-GEIGY CORPORATION (US) 1988-04-12 US disclosed