SCHEMBL4590031

SCHEMBL4590031

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

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4590837 0.92 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590551 0.92 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590722 0.91 MEN1 (0.44) HRH3MEN1KMT2A
SCHEMBL4590678 0.89 HRH3 (0.35) HRH3MEN1KMT2A
SCHEMBL4590339 0.86 HRH3 (0.46) HRH3MEN1KMT2A
SCHEMBL4591158 0.84 HRH3 (0.46) HRH3
SCHEMBL4590546 0.84 KCNA5 (0.41) HRH3MEN1KMT2A
SCHEMBL4590516 0.83 HRH3 (0.46) HRH3
SCHEMBL4590727 0.82 HRH3 (0.42) HRH3MEN1KMT2A
SCHEMBL4590536 0.81 FGFR1 (0.46) HRH3

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