SCHEMBL7966008

SCHEMBL7966008

CC(C)(C)OC(=O)NCCCN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.72
SIGMAR1 Q99720 2/20 0.54
DRD3 P35462 3/20 0.53
DRD4 P21917 3/20 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
SCHEMBL7969846 0.84 DRD2 (0.74) DRD2SIGMAR1DRD3DRD4
SCHEMBL7662199 0.84 DRD2 (0.54) DRD2SIGMAR1DRD4
SCHEMBL27966706 0.83 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL7869518 0.83 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL17865091 0.83 DRD2 (0.72) DRD2DRD3DRD4
SCHEMBL7702063 0.83 ADRA1A (0.55) DRD2
SCHEMBL7711219 0.80 DRD2 (0.48) DRD2DRD3DRD4
SCHEMBL13922058 0.80 DRD2 (1.00) DRD2DRD3DRD4
SCHEMBL7596111 0.80 ADRA1D (0.56) DRD2DRD3DRD4
SCHEMBL8254760 0.79 DRD2 (0.64) DRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274583-B1 Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. 2001-08-14 US disclosed
US-5977115-A Alpha 1a adrenergic receptor antagonists MERCK & CO., INC. (US) 1999-11-02 US disclosed