SCHEMBL8966946

SCHEMBL8966946

OCC(O)CCCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
HTR1A P08908 3/20 0.52
HTR2A P28223 3/20 0.52
DRD3 P35462 3/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
SLC18A3 Q16572 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
CCR2 P41597 4/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL8967031 0.86 SLC18A3 (0.63) DRD2SLC18A3SIGMAR1
SCHEMBL6998658 0.83 DRD2 (0.59) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8001944 0.82 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8011291 0.82 DRD2 (0.65) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL9967718 0.82 DRD2 (0.55) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8001978 0.81 DRD2 (0.63) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL11790517 0.80 DRD2 (0.63) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8012789 0.79 DRD2 (0.60) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8017474 0.78 SLC18A3 (0.63) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL8571166 0.77 DRD2 (0.59) DRD2HTR1AHTR2ADRD3DRD1

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-5512584-A 1,3,4-trisubstituted piperidine derivatives, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed