SCHEMBL30801795

SCHEMBL30801795

N#Cc1cccc(-c2cnc(N3CCN4CCNC[C@@H]4C3=O)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
CYP3A4 P08684 5/20 0.42
CYP1A2 P05177 5/20 0.42
CYP2C9 P11712 4/20 0.42
CASP1 P29466 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CASP7 P55210 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HIF1A Q16665 2/20 0.40
ALOX15 P16050 1/20 0.40
CLK4 Q9HAZ1 2/20 0.39
BACE1 P56817 5/20 0.39
CYP2D6 P10635 1/20 0.39
OTUD7B Q6GQQ9 3/20 0.38
MET P08581 1/20 0.38
USP2 O75604 2/20 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
SCHEMBL30801790 1.00 USP30 (0.43) USP30CYP3A4CYP1A2CYP2C9CASP1
SCHEMBL30801777 0.85 HTR2C (0.38) CYP3A4CYP1A2CYP2C9TP53BACE1
SCHEMBL30801874 0.85 HTR2C (0.38) CYP3A4CYP1A2CYP2C9TP53BACE1
SCHEMBL23574148 0.84 USP30 (0.52) USP30CYP3A4CYP1A2CYP2C9CASP1
SCHEMBL23573999 0.84 USP30 (0.52) USP30CYP3A4CYP1A2CYP2C9CASP1
SCHEMBL23574000 0.84 USP30 (0.52) USP30CYP3A4CYP1A2CYP2C9CASP1
SCHEMBL30801732 0.82 USP30 (0.42) USP30CYP3A4CYP1A2CYP2C9CASP1
SCHEMBL30801856 0.82 USP30 (0.42) USP30CYP3A4CYP1A2CYP2C9CASP1
SCHEMBL30801797 0.81 GRM5 (0.47) USP30CYP3A4CYP1A2ALDH1A1HSD17B10
SCHEMBL30801780 0.80 GRM5 (0.41) USP30DRD2DRD3

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