SCHEMBL8017474

SCHEMBL8017474

OC(CN1CCC(c2ccc(F)cc2)CC1)CN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.63
TSHR P16473 1/20 0.52
DRD2 P14416 3/20 0.47
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL8572351 0.87 SLC18A3 (0.56) SLC18A3TSHRDRD2DRD3
SCHEMBL10532482 0.81 DRD2 (0.50) SLC18A3DRD2HTR1ADRD1DRD5
SCHEMBL8012789 0.80 DRD2 (0.60) SLC18A3DRD2HTR1ADRD1DRD5
SCHEMBL10514525 0.80 SLC18A3 (0.44) SLC18A3DRD2HTR1ADRD1DRD5
SCHEMBL27874506 0.78 DRD2 (0.49) SLC18A3TSHRDRD2HTR1ADRD1
SCHEMBL8220682 0.78 TSHR (0.60) SLC18A3TSHRDRD2DRD3
SCHEMBL8966946 0.78 DRD2 (0.52) SLC18A3DRD2HTR1ADRD1DRD5
SCHEMBL10600104 0.78 SLC18A3 (1.00) SLC18A3DRD2
SCHEMBL6991321 0.77 DRD2 (0.53) SLC18A3DRD2HTR1ADRD1DRD5
SCHEMBL8001944 0.77 DRD2 (0.65) TSHRDRD2HTR1ADRD1DRD5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090808-A PSYCHOLOGICAL DISORDERS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 2000-07-18 US claimed
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP claimed
US-6090808-A PSYCHOLOGICAL DISORDERS; ANTICONVULSANTS H. LUNDBECK A/S (DK) 2000-07-18 US disclosed
US-5658921-A POTENT SIGMA RECEPTOR LIGANDS; WATER SOLUBILITY; SYMMETRY H. LUNDBECK A/S (DK) 1997-08-19 US disclosed