Sugi Predict

Sugi Predict / Compounds / SCHEMBL4590678

SCHEMBL4590678

SCHEMBL4590678

CC(C)N(C)C(=O)CN1CCN(CCCCCOc2ccc3c(ccn3-c3ccc(Cl)cc3)c2)CC1.CN(C)C(=O)CN1CCN(CCCCCOc2ccc3c(c2)nnn3-c2ccc(Cl)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL4590727 0.91 HRH3 (0.42) HRH3HPGDL3MBTL1MEN1KMT2A
SCHEMBL4590031 0.89 HRH3 (0.43) HRH3MEN1KMT2A
SCHEMBL4590682 0.89 HRH3 (0.34) HRH3HPGDL3MBTL1MEN1KMT2A
SCHEMBL4590572 0.89 HRH3 (0.44) HRH3HPGDL3MBTL1MEN1KMT2A
SCHEMBL4590551 0.87 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590837 0.87 HRH3 (0.45) HRH3MEN1KMT2A
SCHEMBL4590722 0.86 MEN1 (0.44) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL4591346 0.80 HRH3 (0.42) HRH3MEN1KMT2A
SCHEMBL4590576 0.79 AVPR1B (0.45) HRH3MEN1KMT2A
SCHEMBL4590150 0.79 FGFR1 (0.54) HRH3HPGDFGFR1SRC

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