SCHEMBL7347167

SCHEMBL7347167

C#Cc1cccc([C@@H]2CCCN(CCC)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 1.00
DRD2 P14416 8/20 1.00
DRD4 P21917 7/20 1.00
DRD1 P21728 5/20 1.00
DRD5 P21918 5/20 1.00
NFKB1 P19838 2/20 0.77
CYP2D6 P10635 1/20 0.77
TSHR P16473 1/20 0.77
CASP1 P29466 1/20 0.77
NPSR1 Q6W5P4 1/20 0.76
SIGMAR1 Q99720 3/20 0.67
PRCP P42785 1/20 0.67
EBP Q15125 1/20 0.67

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
SCHEMBL7355118 0.87 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL872942 0.87 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7346180 0.87 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7349552 0.81 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL2861863 0.81 DRD2 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL2861859 0.81 DRD2 (1.00) DRD3DRD2DRD4DRD1DRD5
Preclamol SCHEMBL872804 0.80 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7313051 0.80 DRD3 (0.73) DRD3DRD2DRD4DRD1DRD5
Preclamol SCHEMBL29414104 0.80 DRD3 (1.00) DRD3DRD2DRD4DRD1DRD5
SCHEMBL7349090 0.80 DRD3 (0.73) DRD3DRD2DRD4DRD1DRD5

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