SCHEMBL25873180

SCHEMBL25873180

N[C@H]1CCC[C@H]2CCCN2C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
DPP4 P27487 4/20 0.38
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.36
AADAT Q8N5Z0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL31228098 0.96 CYP3A4 (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL12528394 0.94 MAPT (0.41) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL17770871 0.94 MAPT (0.41) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL12495232 0.92 MAPT (0.39) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL12495233 0.92 MAPT (0.39) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL17770870 0.92 MAPT (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL12527920 0.92 MAPT (0.42) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4655669 0.91 OPRM1 (0.37) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL33526217 0.90 CYP3A4 (0.41) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL33526406 0.90 CYP3A4 (0.41) CYP3A4TSHRTDP1MAPTAPEX1

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-2023133336-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-07-13 WO disclosed