SCHEMBL8123725

SCHEMBL8123725

O=C1CCCCc2ccncc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
MAOA P21397 5/20 0.48
MAOB P27338 5/20 0.48
CYP2A6 P11509 1/20 0.48
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
CYP11B2 P19099 5/20 0.39
CYP11B1 P15538 4/20 0.39
CYP1A2 P05177 1/20 0.39
PRKCI P41743 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CDC25B P30305 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36

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
SCHEMBL3599167 0.96 MAOA (0.53) SIGMAR1MAOAMAOBCYP2A6PKN1
SCHEMBL29649256 0.96 MAOA (0.53) SIGMAR1MAOAMAOBCYP2A6PKN1
Hydrochloric Acid SCHEMBL7258529 0.94 MAOA (0.52) SIGMAR1MAOAMAOBCYP2A6PKN1
SCHEMBL30082317 0.88 CYP11B2 (0.49) SIGMAR1MAOAMAOBCYP2A6PKN1
SCHEMBL3581879 0.88 CYP11B2 (0.49) SIGMAR1MAOAMAOBCYP2A6PKN1
Hydrochloric Acid SCHEMBL23406550 0.86 CYP11B2 (0.47) SIGMAR1MAOAMAOBCYP2A6PKN1
SCHEMBL11265174 0.84 SIGMAR1 (0.57) SIGMAR1MAOAMAOBCYP2A6PKN1
SCHEMBL2877256 0.80 MAOA (0.53) SIGMAR1MAOAMAOBCYP2A6PKN1
SCHEMBL31128508 0.80 MAOA (0.53) SIGMAR1MAOAMAOBCYP2A6PKN1
Hydrochloric Acid SCHEMBL2883050 0.78 MAOA (0.52) SIGMAR1MAOAMAOBCYP2A6PKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed
EP-1015450-A1 NOVEL PYRIDAZINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-07-05 EP disclosed
WO-1997045428-A1 NOVEL PYRIDAZINE COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-12-04 WO disclosed