SCHEMBL4196291

SCHEMBL4196291

Oc1c(Br)cc(-c2ccc(OCCc3cccc(Cl)c3)nn2)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
MAOB P27338 2/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
MAPT P10636 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
HDAC3 O15379 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
SCHEMBL3244279 0.88 HTR2C (0.39) HTR2CSLC6A4HTR2BHTR6HTR3E
SCHEMBL3242646 0.87 RHEB (0.36) HTR2CSLC6A4HTR2BBCHEACHE
SCHEMBL3240162 0.82 PTPN1 (0.35) MAOBBCHEACHEMAPT
SCHEMBL3232764 0.81 P2RX7 (0.37) HTR2CHTR2BBCHEACHEMAPT
SCHEMBL3240298 0.77 BCHE (0.44) BCHEACHE
SCHEMBL3243475 0.76 MAOB (0.44) THRATHRBMAOB
SCHEMBL3239816 0.74 THRA (0.42) THRATHRBMAOBMAPTMEN1
SCHEMBL3240159 0.74 IDO1 (0.38) MAPTTAAR1MEN1KMT2A
SCHEMBL3239860 0.73 HTR6 (0.38) HTR2CSLC6A4HTR2BHTR6MAPT
SCHEMBL3236147 0.70 FFAR1 (0.35) TAAR1KMT2A

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-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed