SCHEMBL4590339

SCHEMBL4590339

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.46
AVPR1B P47901 6/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNA5 P22460 2/20 0.44

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
SCHEMBL4590031 0.86 HRH3 (0.43) HRH3MEN1KMT2A
SCHEMBL4590580 0.86 FGFR1 (0.51) HRH3AVPR1BMEN1KMT2A
SCHEMBL4590553 0.85 KCNA5 (0.41) HRH3MEN1KMT2AKCNA5
SCHEMBL4590546 0.85 KCNA5 (0.41) HRH3MEN1KMT2AKCNA5
SCHEMBL4590555 0.85 KCNA5 (0.41) HRH3MEN1KMT2AKCNA5
SCHEMBL4590837 0.85 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590551 0.85 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590722 0.84 MEN1 (0.44) HRH3MEN1KMT2A
SCHEMBL4590576 0.82 AVPR1B (0.45) HRH3AVPR1BMEN1KMT2AKCNA5
SCHEMBL4746716 0.82 HRH3 (0.58) HRH3MEN1KMT2AKCNA5

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