SCHEMBL23992123

SCHEMBL23992123

NC/C=C/CNC(=O)O[C@H]1C[C@H]2CC[C@@H](C1)N2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
HTR3A P46098 2/20 0.31

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
SCHEMBL23992110 0.79 EPHX1 (0.56) EPHX1
SCHEMBL23992096 0.73 F2R (0.37)
SCHEMBL23992079 0.71 EPHX1 (0.44) EPHX1
SCHEMBL23992090 0.70 BCHE (0.40)
SCHEMBL23992088 0.69 EPHX1 (0.34) EPHX1
SCHEMBL26695758 0.66 CHRNA7 (0.44) CHRNA7MEN1KMT2AATM
SCHEMBL23992105 0.65 THRB (0.36) EPHX1
Hydrochloric Acid SCHEMBL3981725 0.65 CHRNA7 (0.43) CHRNA7MEN1KMT2AATM
SCHEMBL23992016 0.64
SCHEMBL21456312 0.63 CHRNA7 (0.51) CHRNA7MEN1KMT2AATM

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
WO-2021217040-A1 CARBAMATE AND UREA DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed