SCHEMBL14040951

SCHEMBL14040951

O=C(CC(c1ccc(Cl)cc1)c1cccc[n+]1[O-])NCCCCc1c[nH]cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL14040973 0.84 BLM (0.43) THRBNPSR1L3MBTL1LMNA
SCHEMBL14040795 0.81 TACR1 (0.47) HTTNPSR1ALDH1A1HPGDKMT2A
SCHEMBL7972671 0.78 TACR1 (0.51) HTTALDH1A1HPGDKMT2ACNR1
SCHEMBL14040781 0.78 SMN1; SMN2 (0.46) NPSR1CNR1L3MBTL1LMNA
SCHEMBL14040975 0.76 BLM (0.46) NPSR1L3MBTL1LMNA
SCHEMBL7975013 0.71 HPGD (0.56) HTTALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL7975015 0.71 HPGD (0.56) HTTALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL7975009 0.71 HPGD (0.56) HTTALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL8313063 0.69 HRH1 (0.48) KMT2AL3MBTL1
SCHEMBL9828176 0.69 HRH1 (0.45) NPSR1L3MBTL1LMNA

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
EP-1318983-B1 SUBSTITUTED IMIDAZOLES AS HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2008-10-22 EP disclosed