SCHEMBL6282796

SCHEMBL6282796

O=C1C(=O)N(CCN2CCN(Cc3ccccc3)CC2)c2ccc(N3CCCCC3)cc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
ALDH1A1 P00352 5/20 0.56
TP53 P04637 1/20 0.56
ALDH3A1 P30838 5/20 0.53
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
ALDH2 P05091 3/20 0.47
PTGS2 P35354 1/20 0.47
BCHE P06276 1/20 0.47
PDE5A O76074 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL9384529 0.83 DRD2 (0.74) DRD2DRD4ALDH1A1ALDH3A1ALDH2
SCHEMBL9096191 0.82 DRD2 (0.62) DRD2DRD4ALDH1A1TP53ALDH3A1
SCHEMBL6285415 0.82 DRD2 (0.62) DRD2DRD4ALDH1A1TP53ALDH3A1
Hydrochloric Acid SCHEMBL9096836 0.82 DRD2 (0.72) DRD2DRD4ALDH1A1ALDH3A1ALDH2
SCHEMBL9097463 0.82 PARK7 (0.67) DRD2DRD4ALDH1A1TP53ALDH3A1
SCHEMBL9095875 0.81 DRD2 (0.83) DRD2DRD4ALDH1A1TP53ALDH3A1
Hydrochloric Acid SCHEMBL9096767 0.81 DRD2 (0.61) DRD2DRD4ALDH1A1TP53ALDH3A1
Hydrochloric Acid SCHEMBL9094768 0.81 DRD2 (0.61) DRD2DRD4ALDH1A1TP53ALDH3A1
SCHEMBL9096863 0.81 DRD2 (0.64) DRD2DRD4ALDH1A1TP53ALDH3A1
SCHEMBL9096146 0.81 DRD2 (0.55) DRD2DRD4ALDH1A1TP53ALDH3A1

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-6906090-B1 Compositions and methods for treating mycobacterial diseases ASTRAZENECA AB (SE) 2005-06-14 US claimed
EP-1058548-B1 THE USE OF ISATIN AND OXINDOLE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR USE IN THE TREATMENT OF MYCOBACTERIAL DISEASE ASTRAZENECA AB (SE) 2003-09-17 EP claimed
US-6906090-B1 Compositions and methods for treating mycobacterial diseases ASTRAZENECA AB (SE) 2005-06-14 US disclosed
EP-1058548-B1 THE USE OF ISATIN AND OXINDOLE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR USE IN THE TREATMENT OF MYCOBACTERIAL DISEASE ASTRAZENECA AB (SE) 2003-09-17 EP disclosed