SCHEMBL4591346

SCHEMBL4591346

CN(C)C(=O)C(N1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1)N1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4590572 0.89 HRH3 (0.44) HRH3MEN1KMT2A
SCHEMBL4590727 0.87 HRH3 (0.42) HRH3MEN1KMT2A
SCHEMBL4590774 0.84 HRH3 (0.45) HRH3
SCHEMBL4590576 0.84 AVPR1B (0.45) HRH3MEN1KMT2A
SCHEMBL4590682 0.83 HRH3 (0.34) HRH3MEN1KMT2AKDM4EPOLB
SCHEMBL4590221 0.83 KCNA5 (0.40) HRH3MEN1KMT2A
SCHEMBL4590678 0.80 HRH3 (0.35) HRH3MEN1KMT2A
SCHEMBL4590224 0.79 KCNA5 (0.40) HRH3MEN1KMT2A
SCHEMBL4590225 0.79 KCNA5 (0.40) HRH3MEN1KMT2AKDM4EPOLB
SCHEMBL4590150 0.75 FGFR1 (0.54) 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 1 patent. 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