SCHEMBL4745404

SCHEMBL4745404

COc1cc(OCCCCCN2CCN(CC(=O)N(C)C)CC2)cc(OC)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.49
DRD2 P14416 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 11/20 0.45
KCNA5 P22460 1/20 0.45
DRD3 P35462 1/20 0.45
HRH1 P35367 2/20 0.44
HRH2 P25021 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL4743286 0.90 DRD2 (0.48) F10DRD2MEN1KMT2AKDM4E
SCHEMBL4747494 0.88 HRH3 (0.46) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4743300 0.87 HRH3 (0.57) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4746202 0.82 MAOB (0.54)
SCHEMBL4746681 0.81 HRH3 (0.46) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4746694 0.81 LSS (0.55) DRD2MEN1KMT2AHRH3HRH1
SCHEMBL4746760 0.81 HRH3 (0.51) DRD2MEN1KMT2AHRH3KCNA5
SCHEMBL4746206 0.79 HRH3 (0.57) MEN1KMT2AHRH3
SCHEMBL4743798 0.79 HRH4 (0.49) DRD2KDM4EALDH1A1HRH3HRH1
SCHEMBL4744711 0.78 HRH3 (0.56) MEN1KMT2AHRH3

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 disclosed