SCHEMBL5319993

SCHEMBL5319993

COC(=O)Nc1ccc(C)c(C2CCN(C(C)c3ccc(Sc4ccc(F)c(F)c4)cc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
ADRA1A P35348 1/20 0.47
MAPT P10636 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MGLL Q99685 1/20 0.35
OGA O60502 1/20 0.34
LRRK2 Q5S007 1/20 0.33
DRD4 P21917 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5320289 0.94 DRD2 (0.40) DRD2ADRA1AHCRTR1HCRTR2MGLL
SCHEMBL5322375 0.90 DRD2 (0.41) DRD2ADRA1AMAPTOGALRRK2
SCHEMBL14396688 0.82 DRD2 (0.35) DRD2ADRA1AMGLLOGADRD4
SCHEMBL5319996 0.82 DRD2 (0.52) DRD2ADRA1AMAPTDRD4TMEM97
SCHEMBL5324511 0.80 DRD2 (0.49) DRD2ADRA1AOGA
SCHEMBL5323016 0.79 DRD2 (0.46) DRD2ADRA1AMAPT
SCHEMBL5324921 0.79 ALDH1A1 (0.41) DRD2ADRA1AHCRTR1HCRTR2
SCHEMBL5394993 0.79 CHRM2 (0.47) DRD2ADRA1AOGA
SCHEMBL5388493 0.78 DRD2 (0.40) DRD2ADRA1AOGALRRK2
SCHEMBL5320284 0.78 DRD2 (0.46) DRD2ADRA1AMAPT

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