SCHEMBL25216415

SCHEMBL25216415

O=C(N[C@H]1CN[C@H](Cn2cccn2)C1)c1ncc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ GRIN1 Q05586 11/20 0.39
▸ GRIN2B Q13224 11/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ F2R P25116 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL30473978 0.97 HDAC1 (0.46) HDAC1HDAC6GRIN1GRIN2BCYP2C9
SCHEMBL24073262 0.90 HDAC1 (0.48) HDAC1HDAC6GRIN1GRIN2BCYP2C9
SCHEMBL31017693 0.90 HDAC1 (0.48) HDAC1HDAC6GRIN1GRIN2BCYP2C9
SCHEMBL25236309 0.89 HDAC1 (0.38) HDAC1HDAC6KCNH2
Trifluoroacetic Acid SCHEMBL30371030 0.87 HDAC1 (0.46) HDAC1HDAC6GRIN1GRIN2BCYP2C9
Trifluoroacetic Acid SCHEMBL30473949 0.86 FAAH (0.42) HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL30473991 0.86 HDAC1 (0.37) HDAC1HDAC6
SCHEMBL25215130 0.86 FAAH (0.44) HDAC1HDAC6
SCHEMBL24073650 0.84 HDAC1 (0.51) HDAC1HDAC6GRIN1GRIN2BCYP2C9
SCHEMBL25838522 0.84 HDAC1 (0.51) HDAC1HDAC6GRIN1GRIN2BCYP2C9

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
WO-2023099561-A1 SUBSTITUTED N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2023-06-08 — — WO disclosed
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