SCHEMBL4590682

SCHEMBL4590682

CC(C)N(C)C(=O)C(C(C(=O)N(C)C)N1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1)N1CCN(CCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAOB P27338 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL4590678 0.89 HRH3 (0.35) HRH3HPGDL3MBTL1MEN1KMT2A
SCHEMBL4591346 0.83 HRH3 (0.42) HRH3MEN1KMT2AKDM4EPOLB
SCHEMBL4590727 0.82 HRH3 (0.42) HRH3HPGDL3MBTL1MEN1KMT2A
SCHEMBL4590031 0.80 HRH3 (0.43) HRH3MEN1KMT2A
SCHEMBL4590572 0.78 HRH3 (0.44) HRH3HPGDL3MBTL1MEN1KMT2A
SCHEMBL4590540 0.77 FGFR1 (0.44) HRH3HPGDMAOBMEN1KMT2A
SCHEMBL4590837 0.76 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590551 0.76 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590722 0.75 MEN1 (0.44) HRH3SLC6A2SLC6A4MEN1KMT2A
SCHEMBL4590774 0.75 HRH3 (0.45) HRH3SLC6A4FGFR1SRC

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 disclosed