SCHEMBL30801871

SCHEMBL30801871

O=C1[C@H]2CNCCN2CCN1c1ccc(-c2cccc3cn[nH]c23)nn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 1/20 0.34
MET P08581 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ROCK2 O75116 10/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL30801875 0.86 TYRO3 (0.37) TYRO3METCYP2D6SLC6A2SLC6A4
SCHEMBL30801838 0.86 OTUD7B (0.35) CNR1CNR2CYP2D6SLC6A2SLC6A4
SCHEMBL30801754 0.86 CREBBP (0.35) TYRO3METCNR2ROCK2
SCHEMBL23573965 0.82 ROCK2 (0.33) CNR1CNR2ROCK2
SCHEMBL30986850 0.82 ROCK2 (0.33) CNR1CNR2ROCK2
SCHEMBL23573964 0.82 ROCK2 (0.33) CNR1CNR2ROCK2
SCHEMBL30801755 0.82 TYRO3 (0.34) TYRO3METCYP2D6SLC6A2SLC6A4
SCHEMBL30801740 0.74 METAP2 (0.33) CYP2D6SLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL30801888 0.72 ROCK2 (0.38) CYP2D6SLC6A2SLC6A4SLC6A3ROCK2
SCHEMBL30801809 0.72 METAP2 (0.39) CNR2ROCK2

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