SCHEMBL7349653

SCHEMBL7349653

C=CCN1CCC[C@@H](c2cccc(O)c2)C1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.67
DRD2 P14416 4/20 0.67
SIGMAR1 Q99720 3/20 0.66
DRD4 P21917 3/20 0.66
NFKB1 P19838 1/20 0.66
PRCP P42785 1/20 0.66
EBP Q15125 1/20 0.66
OPRM1 P35372 1/20 0.52
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52

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
SCHEMBL14639352 0.85 DRD2 (0.63) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL2880190 0.83 DRD2 (0.65) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL11629871 0.82 DRD2 (0.58) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL7354319 0.82 DRD3 (0.80) DRD3DRD2SIGMAR1DRD4NFKB1
Bromide SCHEMBL11627889 0.81 DRD2 (0.57) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL7351986 0.81 DRD2 (0.70) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7382001 0.81 DRD2 (1.00) DRD3DRD2DRD4NFKB1DRD1
SCHEMBL9582690 0.80 DRD3 (0.76) DRD3DRD2SIGMAR1DRD4NFKB1
Preclamol SCHEMBL872804 0.80 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4NFKB1
Preclamol SCHEMBL29414104 0.80 DRD3 (1.00) DRD3DRD2SIGMAR1DRD4NFKB1

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-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5462947-A Nervous system disorders THE UPJOHN COMPANY (US) 1995-10-31 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed