SCHEMBL5328378

SCHEMBL5328378

Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCc2ccc(S(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.63
ADRA1A P35348 3/20 0.63
DRD4 P21917 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5322187 0.91 DRD2 (0.57) DRD2ADRA1A
SCHEMBL4617822 0.85 DRD2 (0.68) DRD2ADRA1A
SCHEMBL5328372 0.84 DRD2 (0.55) DRD2ADRA1A
SCHEMBL5324923 0.83 DRD2 (0.44) DRD2ADRA1ADRD4CA12CA1
SCHEMBL4615593 0.83 DRD2 (0.66) DRD2ADRA1A
SCHEMBL4615167 0.81 DRD2 (0.64) DRD2ADRA1A
SCHEMBL5321991 0.81 DRD2 (0.56) DRD2ADRA1AMEN1KMT2A
SCHEMBL5324721 0.80 DRD2 (0.56) DRD2ADRA1AMEN1KMT2A
SCHEMBL5324516 0.80 DRD2 (0.57) DRD2ADRA1A
SCHEMBL5394994 0.80 DRD2 (0.46) DRD2ADRA1ACA12CA1CA2

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 1 patent. 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