SCHEMBL20708290

SCHEMBL20708290

C=CC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ TET3 O43151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FBXL19 Q6PCT2 1/20 0.47
▸ CXXC5 Q7LFL8 1/20 0.47
▸ KDM2B Q8NHM5 1/20 0.47
▸ CXXC4 Q9H2H0 1/20 0.47
▸ KDM2A Q9Y2K7 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR7 P34969 1/20 0.45

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
SCHEMBL20708184 0.89 ADAMTS5 (0.47) RAB9ATET3KMT2AFBXL19CXXC5
SCHEMBL17871381 0.86 RAB9A (0.54) RAB9ACHRM2CHRM4ADRB1CHRM1
SCHEMBL21583811 0.84 AKR1C3 (0.61) RAB9ATET3KMT2AFBXL19CXXC5
SCHEMBL17884901 0.83 RAB9A (0.72) RAB9AKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL17884496 0.81 RAB9A (0.54) RAB9ACHRM2CHRM4ADRB1CHRM1
SCHEMBL20708171 0.81 LMNA (0.49) ALDH1A1HTTSMN1; SMN2KDM4EJAK3
SCHEMBL20708157 0.80 JAK3 (0.52) RAB9AALDH1A1SMN1; SMN2JAK3ADAMTS5
SCHEMBL5414205 0.79 CHRM2 (0.52) RAB9ACHRM2CHRM4ADRB1CHRM1
SCHEMBL17640832 0.79 CYP17A1 (0.47) RAB9AKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL11068888 0.78 ADRB1 (0.70) CHRM2CHRM4ADRB1CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 — — EP disclosed
EP-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 — — EP disclosed
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