SCHEMBL11776900

SCHEMBL11776900

O=C(C(=O)N1CCC(O)(c2ccccc2)CC1)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.50
▸ DRD3 P35462 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MDH2 P40926 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LTA4H P09960 2/20 0.46
▸ PLA2G2A P14555 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ ABCB1 P08183 1/20 0.45

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
SCHEMBL11771511 0.81 POLB (0.67) DRD2DRD3ALDH1A1MEN1KMT2A
SCHEMBL11735457 0.79 GABRA1 (0.47) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL11602121 0.78 ALDH1A1 (0.61) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL11768689 0.77 DRD3 (0.58) DRD2DRD3LTA4HPLA2G2APOLB
SCHEMBL7947691 0.77 ALDH1A1 (0.62) ALDH1A1HPGDMDH2SMN1; SMN2KMT2A
SCHEMBL7945905 0.77 ALDH1A1 (0.58) ALDH1A1HPGDMDH2SMN1; SMN2GABRA1
Hydrochloric Acid SCHEMBL11767138 0.77 LTA4H (0.59) DRD2DRD3LTA4HPLA2G2APOLB
SCHEMBL11194622 0.77 ALDH1A1 (0.59) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL7382353 0.75 MEN1 (0.64) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H
SCHEMBL6098744 0.75 ALDH1A1 (0.57) ALDH1A1HPGDMDH2SMN1; SMN2LTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 — — US disclosed
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