SCHEMBL4746744

SCHEMBL4746744

CC(C)NC(=O)C(C(C(=O)N(C)C)N1CCN(CCCCCOc2ccc(Sc3ccc(Cl)cc3)cc2)CC1)N1CCN(CCCCCOc2ccc(C(=CC#N)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL4745392 0.79 HRH3 (0.50) HRH3MEN1KMT2ADRD2
SCHEMBL4745390 0.79 HRH3 (0.50) HRH3MEN1KMT2ADRD2
SCHEMBL4746217 0.78 HRH3 (0.46) HRH3MEN1KMT2A
SCHEMBL4746765 0.78 HRH3 (0.48) HRH3MEN1KMT2ADRD2
SCHEMBL4747605 0.76 HRH3 (0.39) HRH3MEN1KMT2ADRD2
SCHEMBL4744061 0.73 SIGMAR1 (0.40) HRH3
SCHEMBL4743109 0.72 HRH3 (0.46) HRH3MEN1KMT2ADRD2
SCHEMBL4787626 0.71 HRH3 (0.40) HRH3DRD2
SCHEMBL4744711 0.71 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL4590540 0.69 FGFR1 (0.44) HRH3MEN1KMT2A

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