SCHEMBL6673356

SCHEMBL6673356

O=C(On1c(Cl)nc(Br)c1Cl)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HRH4 Q9H3N8 5/20 0.34
SIGMAR1 Q99720 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CHKA P35790 1/20 0.31
LRRK2 Q5S007 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30

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
SCHEMBL5650366 0.85 TSHR (0.39)
SCHEMBL5645168 0.83 TSHR (0.42)
SCHEMBL6673257 0.73 RXFP1 (0.35) RXFP1HSP90AA1HRH4SIGMAR1CA2
SCHEMBL6672108 0.72 RXFP1 (0.37) RXFP1HSP90AA1HRH4SIGMAR1CA2
SCHEMBL28094583 0.65 CA2 (0.46) RXFP1SIGMAR1CA2CA12CA1
SCHEMBL8103057 0.62 CHRNB2 (0.54) RXFP1SIGMAR1CA2CA12CA1
SCHEMBL22322022 0.60 LIPE (0.44) RXFP1HSP90AA1CHRNB2CHRNA4
SCHEMBL23850969 0.60 RXFP1 (0.39) RXFP1HRH4SIGMAR1
SCHEMBL31224333 0.60 TSHR (0.43) RXFP1HSP90AA1HRH4
SCHEMBL23851488 0.60 ALDH1A1 (0.48) RXFP1HRH4SIGMAR1

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
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed