SCHEMBL9412995

SCHEMBL9412995

O=C1CC2COCC(C1)N2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
GAA P10253 1/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
MAPK1 P28482 1/20 0.39
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
APAF1 O14727 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4034860 0.87 KMT2A (0.51) KMT2ASMN1; SMN2POLBDRD2DRD4
SCHEMBL9412884 0.83 DRD4 (0.44) KMT2ASMN1; SMN2POLBDRD2DRD4
SCHEMBL9412886 0.83 DRD4 (0.44) KMT2ASMN1; SMN2POLBDRD2DRD4
SCHEMBL9412858 0.81 DRD2 (0.41) POLBDRD2DRD4DRD3ALDH1A1
SCHEMBL853058 0.80 CHRM2 (0.49) KMT2ASMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL15421246 0.80 CHRM2 (0.49) KMT2ASMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL10106310 0.80 CHRM2 (0.49) KMT2ASMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL4039348 0.79 DRD2 (0.48) KMT2ASMN1; SMN2POLBDRD2DRD4
SCHEMBL7497519 0.78 DRD4 (0.43) KMT2ASMN1; SMN2POLBDRD2DRD4
SCHEMBL9413133 0.77 KDM4E (0.42) SMN1; SMN2TRAP1MAPK1ALDH1A1CYP3A4

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-0623621-A1 Oxazabicyclo derivatives and their use as 5-HT4 receptor agonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-09 EP disclosed