SCHEMBL30801830

SCHEMBL30801830

O=C1[C@@H]2CNCCN2CCN1c1cc(-c2cccc(Cl)c2)no1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
GFER P55789 1/20 0.43
CRHR2 Q13324 1/20 0.43
NOTUM Q6P988 1/20 0.37
GRM5 P41594 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HTR7 P34969 1/20 0.35
USP30 Q70CQ3 6/20 0.35
UCHL1 P09936 1/20 0.35
PLAT P00750 1/20 0.35
DRD2 P14416 1/20 0.34
NPY5R Q15761 1/20 0.34
HTR2C P28335 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
SCHEMBL30801805 1.00 CRHBP (0.43) CRHBPGFERCRHR2NOTUMGRM5
SCHEMBL30801719 0.89 DRD2 (0.37) NOTUMDRD2HTR2C
SCHEMBL30801744 0.89 NPC1 (0.38) USP30PLATHTR2C
SCHEMBL30801848 0.86 USP30 (0.39) USP30DRD2HTR2C
SCHEMBL30801748 0.86 USP30 (0.39) USP30DRD2HTR2C
SCHEMBL30801750 0.85 PARP1 (0.39) GRM5USP30PLAT
SCHEMBL30801850 0.85 USP30 (0.39) GRM5HTR7USP30UCHL1HTR2C
SCHEMBL30801776 0.83 XDH (0.40) GRM5USP30PLATHTR2C
SCHEMBL23574140 0.80 USP30 (0.49) CRHBPGFERCRHR2USP30UCHL1
SCHEMBL23574046 0.80 USP30 (0.49) CRHBPGFERCRHR2USP30UCHL1

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