SCHEMBL16433239

SCHEMBL16433239

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

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.77
TP53 P04637 5/20 0.63
MAPT P10636 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PABPC1 P11940 1/20 0.58
APOBEC3A P31941 1/20 0.58
EIF4H Q15056 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
LMNA P02545 1/20 0.55

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 0.90 DRD2 (0.82) DRD2TP53MAPTSMN1; SMN2MEN1
SCHEMBL20525412 0.90 DRD2 (0.81) DRD2TP53MAPTSMN1; SMN2MEN1
SCHEMBL20525366 0.89 DRD2 (0.80) DRD2TP53MAPTSMN1; SMN2MEN1
SCHEMBL16433117 0.87 DRD2 (0.77) DRD2TP53MAPTSMN1; SMN2MEN1
SCHEMBL16432644 0.87 DRD2 (1.00) DRD2TP53MAPTMEN1KMT2A
SCHEMBL16430961 0.87 DRD2 (0.77) DRD2TP53MAPTSMN1; SMN2MEN1
SCHEMBL20525370 0.86 DRD2 (0.76) DRD2TP53MAPTSMN1; SMN2MEN1
SCHEMBL20525396 0.86 DRD2 (0.76) DRD2TP53MAPTSMN1; SMN2MEN1
SCHEMBL16431001 0.84 DRD2 (0.73) DRD2TP53MAPTSMN1; SMN2MEN1
SCHEMBL20525452 0.83 DRD2 (0.71) DRD2TP53MAPTSMN1; 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 3 patents. 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
EP-3027612-A1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2016-06-08 EP claimed
WO-2015017412-A1 11-OXO-10,11-DIHYDRODIBENZO[B,F][1,4]THIAZEPINE S-OXIDE DERIVATIVES AND THEIR USE AS DOPAMINE D2 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-02-05 WO claimed