SCHEMBL10835280

SCHEMBL10835280

Oc1cccc(C2CCCN(CCCC(O)c3ccc(F)cc3)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.61
DRD3 P35462 9/20 0.61
DRD2 P14416 7/20 0.61
SIGMAR1 Q99720 3/20 0.61
NFKB1 P19838 1/20 0.61
PRCP P42785 1/20 0.61
EBP Q15125 1/20 0.61
HTR1A P08908 7/20 0.55
DRD1 P21728 7/20 0.55
DRD5 P21918 7/20 0.55

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
SCHEMBL10834584 0.81 DRD2 (0.60) DRD4DRD3DRD2SIGMAR1NFKB1
SCHEMBL7352815 0.79 DRD3 (0.85) DRD4DRD3DRD2SIGMAR1NFKB1
SCHEMBL7323429 0.79 DRD3 (0.85) DRD4DRD3DRD2SIGMAR1NFKB1
SCHEMBL7308634 0.78 DRD3 (0.85) DRD4DRD3DRD2SIGMAR1NFKB1
Hydrochloric Acid SCHEMBL7316658 0.77 DRD3 (0.83) DRD4DRD3DRD2SIGMAR1NFKB1
SCHEMBL9582690 0.76 DRD3 (0.76) DRD4DRD3DRD2SIGMAR1NFKB1
Preclamol SCHEMBL29414104 0.76 DRD3 (1.00) DRD4DRD3DRD2SIGMAR1NFKB1
Preclamol SCHEMBL872804 0.76 DRD3 (1.00) DRD4DRD3DRD2SIGMAR1NFKB1
Preclamol SCHEMBL30730528 0.76 DRD3 (1.00) DRD4DRD3DRD2SIGMAR1NFKB1
Hydrochloric Acid SCHEMBL7314840 0.76 DRD3 (0.76) DRD4DRD3DRD2SIGMAR1NFKB1

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