SCHEMBL30801754

SCHEMBL30801754

O=C1[C@H]2CNCCN2CCN1c1ccc(-c2cccc3cn[nH]c23)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.35
TYRO3 Q06418 1/20 0.35
CNR2 P34972 1/20 0.35
ROCK2 O75116 10/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
METAP2 P50579 1/20 0.33
HDAC1 Q13547 1/20 0.33
TDO2 P48775 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
MET P08581 1/20 0.32

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
SCHEMBL30801755 0.89 TYRO3 (0.34) CREBBPTYRO3ROCK2MET
SCHEMBL30801875 0.88 TYRO3 (0.37) TYRO3ROCK2MET
SCHEMBL30801871 0.86 TYRO3 (0.34) TYRO3CNR2ROCK2MET
SCHEMBL30801809 0.85 METAP2 (0.39) CREBBPCNR2ROCK2METAP2TDO2
SCHEMBL30801740 0.85 METAP2 (0.33) ROCK2HDAC8HDAC6METAP2HDAC1
SCHEMBL23573936 0.83 CREBBP (0.36) CREBBPCNR2ROCK2
SCHEMBL30986845 0.83 CREBBP (0.36) CREBBPCNR2ROCK2
SCHEMBL23573932 0.83 CREBBP (0.36) CREBBPCNR2ROCK2
SCHEMBL30801736 0.81 USP30 (0.39) ROCK2METAP2TDO2GPR119
SCHEMBL30801833 0.80 F10 (0.40) ROCK2HDAC8HDAC6HDAC1GPR119

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