SCHEMBL5322187

SCHEMBL5322187

Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
ADRA1A P35348 2/20 0.57
MCHR1 Q99705 1/20 0.43

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
SCHEMBL4615593 0.92 DRD2 (0.66) DRD2ADRA1A
SCHEMBL5328378 0.91 DRD2 (0.63) DRD2ADRA1A
SCHEMBL5324516 0.89 DRD2 (0.57) DRD2ADRA1AMCHR1
SCHEMBL5394994 0.89 DRD2 (0.46) DRD2ADRA1A
SCHEMBL4617207 0.85 DRD2 (0.60) DRD2ADRA1A
SCHEMBL4615167 0.85 DRD2 (0.64) DRD2ADRA1A
SCHEMBL4617822 0.84 DRD2 (0.68) DRD2ADRA1A
SCHEMBL5321793 0.84 DRD2 (0.56) DRD2ADRA1AMCHR1
SCHEMBL5322183 0.83 DRD2 (0.49) DRD2ADRA1A
SCHEMBL4617548 0.83 DRD2 (0.61) DRD2ADRA1A

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
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO claimed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed