SCHEMBL30801845

SCHEMBL30801845

O=C1[C@H]2CNCCN2CCN1c1cn(-c2cccc(OC(F)(F)F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PIM1 P11309 2/20 0.37
USP30 Q70CQ3 1/20 0.37
NOTUM Q6P988 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
KCNH2 Q12809 3/20 0.36
LIPE Q05469 1/20 0.35
DHFR P00374 1/20 0.35
SLC5A1 P13866 6/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL30801853 0.87 ALDH1A1 (0.41) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL30801770 0.83 TAAR1 (0.37) HTR2AHTR2CHTR2BUSP30
SCHEMBL30801818 0.83 GRM5 (0.43) HTR2CHTR2BUSP30NOTUMDRD2
SCHEMBL23573969 0.83 USP30 (0.47) USP30NOTUMDRD2DRD3KCNH2
SCHEMBL30986860 0.83 USP30 (0.47) USP30NOTUMDRD2DRD3KCNH2
SCHEMBL23573970 0.83 USP30 (0.47) USP30NOTUMDRD2DRD3KCNH2
SCHEMBL30801776 0.74 XDH (0.40) HTR2AHTR2CHTR2BUSP30SLC5A1
SCHEMBL30801864 0.71 ALDH1A1 (0.51) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL23574112 0.70 USP30 (0.43) USP30NOTUMDRD2DRD3KCNH2
SCHEMBL23574114 0.70 USP30 (0.43) USP30NOTUMDRD2DRD3KCNH2

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-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 EP claimed