SCHEMBL28258193

SCHEMBL28258193

O=COC(c1ccccc1)N1CCC(c2cc(NC(=O)c3ccccc3)[nH]n2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 4/20 0.39
▸ CDK2 P24941 5/20 0.39
▸ CCNA2 P20248 4/20 0.39
▸ CCNA1 P78396 4/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ ACKR3 P25106 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ PAK4 O96013 2/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 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
SCHEMBL5867670 0.75 CCNA2 (0.59) CDK2CCNA2CCNA1
SCHEMBL19384989 0.75 CTSL (0.52) USP30
SCHEMBL5867954 0.73 CCNA2 (0.54) CDK2CCNA2CCNA1
SCHEMBL19385317 0.72 USP30 (0.71) KDM5AUSP30
SCHEMBL19385161 0.69 CCNA2 (0.52) CDK2CCNA2CCNA1
SCHEMBL5867446 0.69 CCNA2 (0.51) CDK2CCNA2CCNA1HDAC1LMNA
SCHEMBL5867600 0.67 CCNA2 (0.60) CDK2CCNA2CCNA1
Methane SCHEMBL28241933 0.67 KCNA3 (0.41) OPRD1
SCHEMBL27625371 0.67 DPP4 (0.36) CYP3A4CHRM1KCNH2HTR1A
SCHEMBL28017893 0.67 ALDH1A1 (0.39) CYP3A4LMNA

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
CN-108884068-A 1- cyano-pyrolidin derivative as DUB inhibitor 特殊治疗有限公司 2018-11-23 — — CN disclosed
Send feedback