SCHEMBL25390318

SCHEMBL25390318

O=C(O)N1CC[C@@H]2[C@@H](CCN2c2ccc(F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.52
NOTUM Q6P988 1/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
USP30 Q70CQ3 1/20 0.39
MAPT P10636 1/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1B Q00975 1/20 0.38
SLC18A3 Q16572 1/20 0.38
HSD11B1 P28845 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
SCHEMBL25388925 1.00 HRH3 (0.52) HRH3NOTUMNPC1RAB9AATM
SCHEMBL25387095 0.86 NOTUM (0.43) HRH3NOTUMNPC1RAB9AUSP30
SCHEMBL25391062 0.86 NOTUM (0.43) HRH3NOTUMNPC1RAB9AUSP30
SCHEMBL25389887 0.86 NOTUM (0.43) HRH3NOTUMNPC1RAB9AUSP30
SCHEMBL25389045 0.82 LIPE (0.47) HRH3HSD11B1
SCHEMBL25390100 0.82 LIPE (0.47) HRH3HSD11B1
SCHEMBL31288315 0.80 SMN1; SMN2 (0.51) HRH3NPC1RAB9A
SCHEMBL31288365 0.80 SMN1; SMN2 (0.51) HRH3NPC1RAB9A
SCHEMBL25391227 0.80 SMN1; SMN2 (0.51) HRH3NPC1RAB9A
SCHEMBL9791042 0.77 USP30 (0.56) HRH3NOTUMUSP30SLC18A3

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-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed