SCHEMBL30801719

SCHEMBL30801719

O=C1[C@H]2CNCCN2CCN1c1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HTR2C P28335 1/20 0.35
IDH1 O75874 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
NOTUM Q6P988 2/20 0.34
HTT P42858 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL30801744 0.89 NPC1 (0.38) NPC1RAB9AHTR2CMEN1KMT2A
SCHEMBL30801805 0.89 CRHBP (0.43) DRD2HTR2CNOTUM
SCHEMBL30801830 0.89 CRHBP (0.43) DRD2HTR2CNOTUM
SCHEMBL30801748 0.81 USP30 (0.39) DRD2DRD3HTR2C
SCHEMBL30801848 0.81 USP30 (0.39) DRD2DRD3HTR2C
SCHEMBL30801850 0.80 USP30 (0.39) NPC1RAB9AHTR2CMEN1KMT2A
SCHEMBL30801750 0.80 PARP1 (0.39) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL23574050 0.79 USP30 (0.46) DRD2DRD4DRD3
SCHEMBL23574048 0.79 USP30 (0.46) DRD2DRD4DRD3
SCHEMBL30801758 0.79 DPP4 (0.39) NPC1RAB9AHTR2CIDH1MAPKAPK2

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