SCHEMBL11147571

SCHEMBL11147571

O=C1C(=O)N(CCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.73
DRD3 P35462 4/20 0.73
CES1 P23141 2/20 0.55
CDC25A P30304 1/20 0.55
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
MAOB P27338 3/20 0.54
ALDH2 P05091 2/20 0.53
ALDH3A1 P30838 2/20 0.53
ADRA1B P35368 1/20 0.53
PKM P14618 1/20 0.52
P2RX7 Q99572 1/20 0.52

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 SCHEMBL11153700 0.99 DRD2 (0.72) DRD2DRD3CES1CDC25AALDH1A1
SCHEMBL11149873 0.99 DRD2 (0.75) DRD2DRD3CES1CDC25AALDH1A1
SCHEMBL11148465 0.96 DRD2 (0.71) DRD2DRD3CES1ALDH1A1TP53
Hydrochloric Acid SCHEMBL11147710 0.95 DRD2 (0.70) DRD2DRD3CES1ALDH1A1TP53
SCHEMBL11147149 0.91 ALDH1A1 (0.65) DRD2DRD3CES1ALDH1A1TP53
SCHEMBL11147296 0.85 DRD2 (0.63) DRD2DRD3ALDH1A1MAOBADRA1B
SCHEMBL11154465 0.85 DRD2 (0.63) DRD2DRD3ADRA1BP2RX7
SCHEMBL11151708 0.85 DRD2 (0.63) DRD2DRD3ALDH1A1MAOBALDH2
SCHEMBL9256633 0.85 DRD2 (1.00) DRD2DRD3ALDH1A1MAOB
SCHEMBL11149249 0.83 DRD2 (0.65) 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 6 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
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 claimed
US-4382934-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-10 US disclosed
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 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