SCHEMBL30801833

SCHEMBL30801833

O=C1[C@H]2CNCCN2CCN1c1ccc(-c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KCNH2 Q12809 3/20 0.37
ATR Q13535 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CHRNA7 P36544 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
MGLL Q99685 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
ROCK2 O75116 1/20 0.34
CACNA1C Q13936 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
SCHEMBL30801761 0.83 COMT (0.38) TAAR1ATRHTR2AHTR2CHTR2B
SCHEMBL30801817 0.82 MAPT (0.39) HDAC8HDAC6HDAC1GPR119KCNH2
SCHEMBL30801754 0.80 CREBBP (0.35) HDAC8HDAC6HDAC1GPR119ROCK2
SCHEMBL30801809 0.80 METAP2 (0.39) KCNH2CHRNA7ROCK2
SCHEMBL30802021 0.77 USP30 (0.47) F10
SCHEMBL30801891 0.77 NPC1 (0.37) TAAR1
SCHEMBL30801881 0.77 USP30 (0.45) TAAR1CHRNA7
SCHEMBL30801791 0.77 USP30 (0.45) TAAR1CHRNA7
SCHEMBL30801775 0.77 HTR1A (0.49) TAAR1MGLLHTR2AHTR2CHTR2B
SCHEMBL30801770 0.76 TAAR1 (0.37) TAAR1HTR2AHTR2CHTR2B

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