SCHEMBL4746670

SCHEMBL4746670

O=C(c1ccc(Cl)cc1)c1ccc(OCCCCCN2CCN(Cc3ccsc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.54
HRH1 P35367 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
DRD2 P14416 1/20 0.49

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
SCHEMBL4743805 0.86 KDM4E (0.69) HRH3HRH1HRH4KDM4EALDH1A1
SCHEMBL4743802 0.84 DRD2 (0.66) HRH3HRH1HRH4KDM4EALDH1A1
SCHEMBL7367224 0.80 HRH3 (0.81) HRH3HRH4KDM4EALDH1A1MEN1
SCHEMBL4746238 0.79 HRH3 (0.65) HRH3HRH1HRH4KDM4EALDH1A1
SCHEMBL4743140 0.79 HRH3 (0.65) HRH3HRH1HRH4KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7371901 0.79 HRH3 (0.79) HRH3HRH4KDM4EALDH1A1MEN1
SCHEMBL4743298 0.78 HRH3 (0.59) HRH3HRH1HRH4KDM4EALDH1A1
SCHEMBL4743801 0.78 HRH3 (0.59) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4747531 0.76 DRD2 (0.58) HRH3HRH1HRH4MEN1KMT2A
SCHEMBL4746235 0.76 HRH3 (0.55) HRH3HRH1HRH4MEN1KMT2A

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