SCHEMBL19598367

SCHEMBL19598367

C[C@@]1(c2ccc(Cl)cc2)COCOCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
CHRNB2 P17787 2/20 0.38
SLC6A2 P23975 2/20 0.38
CHRNB4 P30926 2/20 0.38
SLC6A4 P31645 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHRND Q07001 2/20 0.38
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.32
WDR91 A4D1P6 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
MAOA P21397 2/20 0.30
MAOB P27338 2/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL10046441 0.72 SLC6A4 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14830192 0.68 MAPK1 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14830193 0.68 MAPK1 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16549830 0.68 ALDH1A3 (0.35) KMT2A
SCHEMBL19459245 0.65 DRD2 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL27783629 0.64 SLC6A4 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL990597 0.64 SLC6A4 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25330329 0.61 TAAR1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL5032504 0.60 CHRNB2 (0.36) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL17807530 0.60 ALDH1A1 (0.41) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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-2958902-B1 CIS-MORPHOLINONE AND OTHER COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2017-11-15 EP disclosed