SCHEMBL30801740

SCHEMBL30801740

O=C1[C@H]2CNCCN2CCN1c1ccc(-c2nccc3cn[nH]c23)cn1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC1 Q13547 1/20 0.31
TDO2 P48775 1/20 0.31
ROCK2 O75116 3/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL30801754 0.85 CREBBP (0.35) METAP2GPR119HDAC8HDAC6HDAC1
SCHEMBL23574118 0.83 USP30 (0.35) ROCK2
SCHEMBL30986844 0.83 USP30 (0.35) ROCK2
SCHEMBL23574125 0.83 USP30 (0.35) ROCK2
SCHEMBL30801736 0.81 USP30 (0.39) METAP2GPR119TDO2ROCK2
SCHEMBL30801817 0.80 MAPT (0.39) GPR119HDAC8HDAC6HDAC1TDO2
SCHEMBL30801833 0.78 F10 (0.40) GPR119HDAC8HDAC6HDAC1ROCK2
SCHEMBL30801875 0.76 TYRO3 (0.37) ROCK2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30801809 0.76 METAP2 (0.39) METAP2TDO2ROCK2
SCHEMBL30801755 0.75 TYRO3 (0.34) ROCK2CYP2D6SLC6A2SLC6A4SLC6A3

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