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Sugi Predict / Compounds / SCHEMBL4590546

SCHEMBL4590546

SCHEMBL4590546

CN(C)CCNC(=O)CN1CCN(CCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.41
▸ HRH3 Q9Y5N1 9/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL4589924 0.87 FGFR1 (0.50) KCNA5HRH3
SCHEMBL4591158 0.86 HRH3 (0.46) HRH3
SCHEMBL4590551 0.86 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590837 0.86 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590553 0.86 KCNA5 (0.41) KCNA5HRH3MEN1KMT2ADRD4
SCHEMBL4590339 0.85 HRH3 (0.46) KCNA5HRH3MEN1KMT2A
SCHEMBL4590722 0.85 MEN1 (0.44) HRH3MEN1KMT2A
SCHEMBL4590031 0.84 HRH3 (0.43) HRH3MEN1KMT2A
SCHEMBL4590221 0.83 KCNA5 (0.40) KCNA5HRH3MEN1KMT2AOPRK1
SCHEMBL4590555 0.82 KCNA5 (0.41) KCNA5HRH3MEN1KMT2A

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
WO-2008107322-A1 INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE DERIVATIVES INCLUDING A PIPERIDINE OR PIPERAZINE CORE AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 — — WO claimed
WO-2008107322-A1 INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE DERIVATIVES INCLUDING A PIPERIDINE OR PIPERAZINE CORE AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 — — WO disclosed