SCHEMBL7355243

SCHEMBL7355243

CCCN1C[C@H](c2cccc(O)c2)C[C@@H]1C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.59
DRD2 P14416 9/20 0.59
DRD4 P21917 9/20 0.56
SIGMAR1 Q99720 3/20 0.56
NFKB1 P19838 1/20 0.56
PRCP P42785 1/20 0.56
EBP Q15125 1/20 0.56
HTR1A P08908 7/20 0.53
DRD1 P21728 7/20 0.53
DRD5 P21918 7/20 0.53
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50

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
SCHEMBL7355239 1.00 DRD3 (0.59) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7346976 1.00 DRD3 (0.59) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7346998 1.00 DRD3 (0.59) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL7346988 1.00 DRD3 (0.59) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL4193654 0.82 DRD2 (0.50) DRD3DRD2DRD4SIGMAR1DRD1
SCHEMBL7354100 0.81 DRD2 (0.59) DRD3DRD2
SCHEMBL2080862 0.77 DRD3 (0.60) DRD3DRD2DRD4SIGMAR1NFKB1
SCHEMBL13569388 0.75 DRD2 (0.46) DRD3DRD2DRD4DRD1DRD5
SCHEMBL4195824 0.75 DRD2 (0.46) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7316143 0.74 DRD3 (1.00) DRD3DRD2DRD4SIGMAR1NFKB1

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