SCHEMBL8934559

SCHEMBL8934559

O=c1ccc2cc(CN3CCN(c4ccccc4)CC3)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 16/20 1.00
DRD2 P14416 11/20 1.00
KDM4E B2RXH2 1/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
ACHE P22303 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL8431223 0.91 DRD4 (1.00) DRD4DRD2KDM4EUSP2ALDH1A1
SCHEMBL8431350 0.88 DRD4 (1.00) DRD4DRD2DRD3
SCHEMBL8431699 0.87 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1MAPT
SCHEMBL8433471 0.83 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1
SCHEMBL8433608 0.81 DRD4 (0.80) DRD4DRD2DRD3
SCHEMBL8435196 0.80 DRD4 (1.00) DRD4DRD2
SCHEMBL11830305 0.80 KMT2A (0.76) DRD4DRD2ACHEDRD3
SCHEMBL8431572 0.79 DRD4 (1.00) DRD4DRD2DRD3
SCHEMBL8520441 0.79 DRD4 (0.77) DRD4DRD2DRD3
SCHEMBL8431470 0.79 DRD4 (1.00) DRD4DRD2KDM4EALDH1A1MAPT

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
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO disclosed