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Sugi Predict / Compounds / SCHEMBL4590553

SCHEMBL4590553

SCHEMBL4590553

CC(C)(N)CNC(=O)CN1CCN(CCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 5/20 0.41
▸ HRH3 Q9Y5N1 9/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL4590555 0.87 KCNA5 (0.41) KCNA5HRH3MEN1KMT2A
SCHEMBL4589926 0.87 FGFR1 (0.49) KCNA5HRH3DRD2DRD4
SCHEMBL4590546 0.86 KCNA5 (0.41) KCNA5HRH3DRD4MEN1KMT2A
SCHEMBL4590339 0.85 HRH3 (0.46) KCNA5HRH3MEN1KMT2A
SCHEMBL4590224 0.83 KCNA5 (0.40) KCNA5HRH3DRD2DRD4MEN1
SCHEMBL4590837 0.82 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590551 0.82 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590722 0.81 MEN1 (0.44) HRH3MEN1KMT2A
SCHEMBL4590031 0.80 HRH3 (0.43) HRH3MEN1KMT2A
SCHEMBL4591158 0.78 HRH3 (0.46) HRH3DRD2

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