SCHEMBL6863920

SCHEMBL6863920

O=C(c1ccc(OCC2CO2)c(Cl)c1Cl)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RORC P51449 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PHGDH O43175 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6862139 0.78 KMT2A (0.54) NPSR1KDM4EMAPTTSHRHTT
SCHEMBL6864124 0.72 HSP90AA1 (0.59) KDM4EMAPTTSHRHTTSMN1; SMN2
(4-Chlorophenyl)(Morpholino)Methanone SCHEMBL27532341 0.72 PHGDH (0.69) KDM4EMAPTTSHRHTTSMN1; SMN2
SCHEMBL20678975 0.70 ALDH1A1 (0.50) MAPTTSHRSMN1; SMN2LMNAPKM
SCHEMBL5584823 0.70 RAB9A (0.43) NPSR1MAPTTSHRSMN1; SMN2LMNA
SCHEMBL6780707 0.70 KDM4E (0.61) KDM4EHTTSMN1; SMN2LMNARAB9A
SCHEMBL5584944 0.69 RIPK1 (0.56) KDM4EMAPTTSHRSMN1; SMN2LMNA
SCHEMBL5584301 0.68 HTR1D (0.50) NPSR1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL5584304 0.68 HTR1D (0.50) NPSR1MAPTHTTSMN1; SMN2RAB9A
SCHEMBL23021686 0.68 KDM4E (0.61) KDM4ERORCMAPTTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973730-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-06-16 EP disclosed
US-6294531-B1 AMINOALKANOLS AS BLOOD COAGULANTS SMITHKLINE BEECHAM CORPORATION 2001-09-25 US disclosed
EP-0973730-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-26 EP disclosed
WO-1998045255-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-15 WO disclosed