SCHEMBL7537231

SCHEMBL7537231

NCc1ccccc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.59
DRD2 P14416 4/20 0.59
DRD3 P35462 4/20 0.59
SIGMAR1 Q99720 2/20 0.58
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PLA2G1B P04054 1/20 0.55
RAB9A P51151 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
NCF1 P14598 2/20 0.55
OPRL1 P41146 1/20 0.54
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MC4R P32245 1/20 0.50

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
SCHEMBL27373125 0.88 LMNA (0.59) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL12000243 0.85 DRD4 (0.64) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL27834649 0.84 NCF1 (0.71) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL23536367 0.84 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL2454168 0.84 DRD4 (0.63) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL29931970 0.84 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL14132945 0.81 DRD4 (0.59) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL2456483 0.80 DRD4 (0.58) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL14094675 0.80 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1KDM4E
SCHEMBL415676 0.80 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1KDM4E

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
EP-1205473-A1 VESAMICOL PIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI RADIOISOTOPE LABORATORIES, LTD. (JP) 2002-05-15 EP disclosed