SCHEMBL4746349

SCHEMBL4746349

O=C(CN1CCN(CCCCCOc2ccc3c(-c4ccc(Cl)cc4)coc3c2)CC1)NCCCn1ccnc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
LMNA P02545 2/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL4744473 0.88 HRH3 (0.50) HRH3
SCHEMBL4744486 0.88 HRH3 (0.45) HRH3
SCHEMBL4744495 0.86 HRH3 (0.51) HRH3
SCHEMBL4742594 0.86 HRH3 (0.56) KMT2AHRH3
SCHEMBL4744392 0.85 HRH3 (0.58) KMT2AHRH3
SCHEMBL4745733 0.85 HRH3 (0.47) HRH3
SCHEMBL4745148 0.85 HRH3 (0.48) HRH3
SCHEMBL4746369 0.85 HRH3 (0.49) HRH3LMNA
SCHEMBL4742644 0.84 HRH3 (0.52) HRH3
SCHEMBL4784824 0.84 HRH3 (0.47) HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO claimed
WO-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed