SCHEMBL9601559

SCHEMBL9601559

CCCOc1cccnc1N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.54
DRD2 P14416 6/20 0.49
DRD3 P35462 5/20 0.49
SIGMAR1 Q99720 4/20 0.49
SLC6A3 Q01959 3/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
FAAH O00519 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
DRD1 P21728 2/20 0.47
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL9602079 0.92 SLC6A9 (0.55) SLC6A9DRD2DRD3SIGMAR1SLC6A3
SCHEMBL9601398 0.87 DRD2 (0.50) SLC6A9DRD2DRD3SIGMAR1SLC6A3
Oxalic Acid SCHEMBL9602668 0.84 DRD3 (0.50) SLC6A9DRD2DRD3SIGMAR1SLC6A3
SCHEMBL9601390 0.82 DRD2 (0.48) SLC6A9DRD2DRD3SIGMAR1SLC6A3
SCHEMBL9601882 0.82 SIGMAR1 (0.56) SLC6A9DRD2DRD3SIGMAR1SLC6A3
SCHEMBL9601079 0.80 HSD11B1 (0.57) SLC6A9DRD2DRD3SIGMAR1SLC6A3
Alcohol SCHEMBL9600777 0.80 KMT2A (0.54) SLC6A9DRD2DRD3SIGMAR1SLC6A3
SCHEMBL7794410 0.80 LMNA (0.52) SLC6A9DRD2DRD3SIGMAR1SLC6A3
SCHEMBL7767918 0.79 LMNA (0.53) SLC6A9DRD2DRD3SIGMAR1SLC6A3
SCHEMBL7794415 0.79 DRD3 (0.53) DRD2DRD3SIGMAR1SLC6A3SLC6A2

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-0308476-B1 BISPHENYLALKYLPIPERAZINE DERIVATIVES, A METHOD OF THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Kabi Pharmacia AB (SE) 1993-02-03 EP disclosed