SCHEMBL20525366

SCHEMBL20525366

CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccc(F)cc3)cc21

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.80
DRD3 P35462 1/20 0.69
MAPT P10636 4/20 0.67
TP53 P04637 2/20 0.65
POLB P06746 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PABPC1 P11940 1/20 0.60
APOBEC3A P31941 1/20 0.60
EIF4H Q15056 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL16432620 0.92 DRD2 (0.82) DRD2MAPTTP53SMN1; SMN2MEN1
SCHEMBL20525412 0.91 DRD2 (0.81) DRD2MAPTTP53SMN1; SMN2MEN1
SCHEMBL20525361 0.91 DRD2 (0.71) DRD2MAPTTP53POLBSMN1; SMN2
SCHEMBL20525396 0.90 DRD2 (0.76) DRD2MAPTTP53POLBSMN1; SMN2
SCHEMBL16433117 0.89 DRD2 (0.77) DRD2DRD3MAPTTP53SMN1; SMN2
SCHEMBL16430961 0.89 DRD2 (0.77) DRD2MAPTTP53SMN1; SMN2MEN1
SCHEMBL16432644 0.89 DRD2 (1.00) DRD2DRD3MAPTTP53POLB
SCHEMBL16433239 0.89 DRD2 (0.77) DRD2MAPTTP53SMN1; SMN2MEN1
SCHEMBL20525439 0.88 DRD2 (0.67) DRD2DRD3MAPTTP53POLB
SCHEMBL20525370 0.88 DRD2 (0.76) DRD2MAPTTP53SMN1; SMN2MEN1

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
EP-3027612-B1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS US HEALTH (US) 2018-10-10 EP claimed