SCHEMBL30801741

SCHEMBL30801741

N#Cc1cccc(-c2cc(N3CCN4CCNC[C@@H]4C3=O)no2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.43
SCD5 Q86SK9 2/20 0.43
USP30 Q70CQ3 4/20 0.40
PRKDC P78527 1/20 0.37
FAAH O00519 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
TP53 P04637 2/20 0.34
XDH P47989 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 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
SCHEMBL30801771 1.00 SCD (0.43) SCDSCD5USP30PRKDCFAAH
SCHEMBL30801891 0.87 NPC1 (0.37) SCDSCD5DRD3ALDH1A1HPGD
SCHEMBL23574035 0.85 USP30 (0.49) SCDSCD5USP30PRKDCFAAH
SCHEMBL23574030 0.85 USP30 (0.49) SCDSCD5USP30PRKDCFAAH
SCHEMBL23574028 0.85 USP30 (0.49) SCDSCD5USP30PRKDCFAAH
SCHEMBL30801785 0.84 GRIN1 (0.38) HTR2CALDH1A1TSHR
SCHEMBL30801848 0.83 USP30 (0.39) SCDSCD5USP30PRKDCDRD2
SCHEMBL30801748 0.83 USP30 (0.39) SCDSCD5USP30PRKDCDRD2
SCHEMBL30801797 0.81 GRM5 (0.47) USP30CYP1A2CYP3A4XDHCLK4
SCHEMBL30801839 0.80 USP30 (0.38) USP30PRKDCDRD2DRD3HTR2C

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