SCHEMBL10834584

SCHEMBL10834584

O=C(CCCN1CCCC(c2cccc(O)c2)C1)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.60
DRD3 P35462 5/20 0.58
DRD4 P21917 4/20 0.58
SIGMAR1 Q99720 3/20 0.58
NFKB1 P19838 1/20 0.58
PRCP P42785 1/20 0.58
EBP Q15125 1/20 0.58
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR1A P08908 3/20 0.53
DRD1 P21728 3/20 0.53
DRD5 P21918 2/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL10834383 0.86 DRD2 (0.61) DRD2DRD3MEN1KMT2AHTR1A
SCHEMBL18937874 0.83 DRD4 (0.67) DRD2DRD3DRD4SIGMAR1NFKB1
SCHEMBL6353997 0.81 ALDH1A1 (0.69) DRD2DRD3DRD4SIGMAR1MEN1
SCHEMBL10835280 0.81 DRD4 (0.61) DRD2DRD3DRD4SIGMAR1NFKB1
SCHEMBL7323429 0.77 DRD3 (0.85) DRD2DRD3DRD4SIGMAR1NFKB1
SCHEMBL7352815 0.77 DRD3 (0.85) DRD2DRD3DRD4SIGMAR1NFKB1
SCHEMBL4050900 0.77 DRD3 (0.60) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7308634 0.76 DRD3 (0.85) DRD2DRD3DRD4SIGMAR1NFKB1
SCHEMBL20652674 0.75 DRD2 (1.00) DRD2DRD3DRD4SIGMAR1MEN1
Hydrochloric Acid SCHEMBL7316658 0.75 DRD3 (0.83) DRD2DRD3DRD4SIGMAR1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4623728-A NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1986-11-18 US disclosed
US-4593037-A Compound substituted with phenyl rings PFIZER INC. (US) 1986-06-03 US disclosed
EP-0175452-A1 1,3-Disubstituted piperidine compounds as neuroleptic agents PFIZER INC. (US) 1986-03-26 EP disclosed