SCHEMBL7982300

SCHEMBL7982300

O=C1c2ccccc2C(=O)N1CC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
DRD3 P35462 4/20 0.58
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ACHE P22303 3/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
OPRK1 P41145 3/20 0.46
OPRL1 P41146 3/20 0.46
OPRD1 P41143 2/20 0.46
OPRM1 P35372 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6776566 0.84 DRD2 (0.67) DRD2DRD3ALDH1A1GAAPOLB
SCHEMBL5393686 0.83 DRD3 (0.69) DRD2DRD3ALDH1A1GAAPOLB
SCHEMBL14432037 0.81 LMNA (0.48) DRD2DRD3ALDH1A1GAASMN1; SMN2
SCHEMBL5451922 0.81 LMNA (0.48) DRD2DRD3ALDH1A1GAASMN1; SMN2
SCHEMBL1581709 0.79 CYP1B1 (0.59) ALDH1A1GAAACHEADRB2ADRB1
SCHEMBL6957478 0.77 ACHE (0.74) ALDH1A1GAAACHEADRB2ADRB1
SCHEMBL31232750 0.75 DRD2 (0.84) DRD2DRD3ALDH1A1GAAPOLB
SCHEMBL9733689 0.75 DRD2 (0.84) DRD2DRD3ALDH1A1GAAPOLB
SCHEMBL8247166 0.75 CYP1B1 (0.62) DRD2ALDH1A1NPSR1ACHEOPRL1
SCHEMBL30657539 0.75 CYP1B1 (0.62) DRD2ALDH1A1NPSR1ACHEOPRL1

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed