SCHEMBL29951919

SCHEMBL29951919

CCNC(=O)c1cc(N2CCC(C=O)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.48
▸ CTSA P10619 1/20 0.39
▸ ACACB O00763 7/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PARP1 P09874 2/20 0.38
▸ CHIA Q9BZP6 1/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ TP53BP1 Q12888 1/20 0.37

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
SCHEMBL2563476 0.87 USP30 (0.43) USP30CTSAACACBDRD2HTR1A
SCHEMBL29954544 0.87 USP30 (0.50) USP30ACACBPARP1TP53BP1
SCHEMBL2563048 0.81 USP30 (0.39) USP30TP53BP1
SCHEMBL29953644 0.80 USP30 (0.45) USP30ACACBPARP1CHIADRD2
SCHEMBL15330360 0.74 USP30 (0.45) USP30ACACBTP53BP1
SCHEMBL27544889 0.72 CYP17A1 (0.41) —
SCHEMBL29132185 0.72 HRH4 (0.35) —
SCHEMBL30790721 0.71 CYP17A1 (0.44) ACACB
SCHEMBL18135099 0.68 NFKB1 (0.51) USP30CTSAPARP1TP53BP1
SCHEMBL162424 0.68 PARP1 (0.45) PARP1SMYD3

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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