Sugi Predict

Sugi Predict / Compounds / SCHEMBL4809422

SCHEMBL4809422

SCHEMBL4809422

CC(C)NC(=O)C(C(=O)NN)(C(=O)NN)N1CCN(CCCCOc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4746253 0.88 HRH3 (0.53) HRH3HRH1MEN1KMT2AHRH4
SCHEMBL4743293 0.82 MEN1 (0.56) HRH3HRH1MEN1KMT2AHRH4
SCHEMBL4743288 0.81 HRH3 (0.56) HRH3HRH1MEN1KMT2AHRH4
SCHEMBL4743111 0.81 HRH3 (0.56) HRH3HRH1MEN1KMT2AHRH4
SCHEMBL4745330 0.78 HRH3 (0.60) HRH3HRH1MEN1KMT2AHRH4
SCHEMBL7367224 0.76 HRH3 (0.81) HRH3MEN1KMT2AHRH4KDM4E
Hydrochloric Acid SCHEMBL7371901 0.75 HRH3 (0.79) HRH3MEN1KMT2AHRH4KDM4E
SCHEMBL4745332 0.74 HRH3 (0.57) HRH3HRH1MEN1KMT2AHRH4
SCHEMBL4743801 0.73 HRH3 (0.59) HRH3HRH1MEN1KMT2AHRH4
SCHEMBL4746238 0.73 HRH3 (0.65) HRH3HRH1MEN1KMT2AHRH4

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-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 — — WO claimed