SCHEMBL11149249

SCHEMBL11149249

O=C1C(=O)N(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.65
DRD3 P35462 5/20 0.65
ALDH1A1 P00352 3/20 0.55
ALDH2 P05091 3/20 0.55
ALDH3A1 P30838 2/20 0.55
HRH1 P35367 3/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TEK Q02763 1/20 0.48
KCNH2 Q12809 1/20 0.48
USP2 O75604 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD4 P21917 1/20 0.48

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
Hydrochloric Acid SCHEMBL11154433 0.99 DRD2 (0.64) DRD2DRD3ALDH1A1ALDH2ALDH3A1
SCHEMBL11146184 0.92 DRD2 (0.65) DRD2DRD3HRH1SLC6A2HRH2
SCHEMBL11147626 0.87 DRD2 (0.60) DRD2DRD3HRH1SLC6A2HTR2A
SCHEMBL11148465 0.87 DRD2 (0.71) DRD2DRD3ALDH1A1ALDH2ALDH3A1
Hydrochloric Acid SCHEMBL11152426 0.86 DRD2 (0.58) DRD2DRD3ALDH1A1TDP1
Hydrochloric Acid SCHEMBL11155916 0.86 DRD2 (0.58) DRD2DRD3ALDH1A1DRD4
Hydrochloric Acid SCHEMBL11147710 0.85 DRD2 (0.70) DRD2DRD3ALDH1A1ALDH2ALDH3A1
SCHEMBL11147296 0.85 DRD2 (0.63) DRD2DRD3ALDH1A1TDP1
SCHEMBL11154465 0.85 DRD2 (0.63) DRD2DRD3DRD4
SCHEMBL11151708 0.85 DRD2 (0.63) DRD2DRD3ALDH1A1ALDH2ALDH3A1

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-4382934-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 US claimed
EP-0010398-B1 ISATIN DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-04-27 EP claimed
US-4382934-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 US disclosed
EP-0010398-A1 Isatin derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-30 EP disclosed