SCHEMBL9733689

SCHEMBL9733689

O=C1c2ccccc2C(=O)N1CCN1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.84
DRD3 P35462 4/20 0.84
GAA P10253 2/20 0.67
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MAOB P27338 4/20 0.58
P2RX7 Q99572 1/20 0.54
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
HTR1A P08908 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
SCHEMBL31232750 1.00 DRD2 (0.84) DRD2DRD3GAAALDH1A1POLB
SCHEMBL9249351 0.92 DRD2 (0.73) DRD2DRD3GAAALDH1A1POLB
SCHEMBL9257199 0.92 DRD3 (0.86) DRD2DRD3GAAALDH1A1POLB
SCHEMBL9256633 0.92 DRD2 (1.00) DRD2DRD3GAAALDH1A1POLB
SCHEMBL7976323 0.92 DRD2 (0.95) DRD2DRD3GAAALDH1A1POLB
Hydrochloric Acid SCHEMBL10826808 0.90 DRD2 (0.92) DRD2DRD3GAAALDH1A1POLB
SCHEMBL9250065 0.89 DRD2 (0.68) DRD2DRD3GAAALDH1A1POLB
SCHEMBL9251119 0.89 DRD2 (0.68) DRD2DRD3GAAALDH1A1POLB
SCHEMBL6166099 0.88 DRD3 (0.79) DRD2DRD3GAAALDH1A1POLB
SCHEMBL10763449 0.87 DRD2 (0.95) DRD2DRD3GAAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164391-A Treatment of diabetes and circulatory disorders, aldose reductase inhibitor SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-11-17 US disclosed
EP-0418834-A1 Hydantoin derivatives for treating complications of diabetes and circulatory diseases SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1991-03-27 EP disclosed