SCHEMBL9645827

SCHEMBL9645827

O=C1CCCN(c2ccc3ccccc3n2)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.54
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
CYP1A2 P05177 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
HTR2C P28335 1/20 0.48
MAPK1 P28482 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTT P42858 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL9645300 0.77 KDM4E (0.57) ALOX5ALDH1A1KDM4EADRB1MAPT
SCHEMBL11213310 0.76 KDM4E (0.50) ALDH1A1KDM4EHTR3EHTR3BCYP1A2
SCHEMBL11865873 0.75 KDM4E (0.61) ALDH1A1KDM4EHTR3EHTR3BCYP1A2
SCHEMBL9647038 0.74 ALOX5 (0.60) ALOX5CRBNG6PDALOX15ALOX12
SCHEMBL21047742 0.72 KMT2A (0.53) ALDH1A1KDM4EHTR3EHTR3BCYP1A2
SCHEMBL9645883 0.71 CRBN (0.52) ALOX5HTR3AHTTCRBN
SCHEMBL1274602 0.71 ALOX5 (1.00) ALOX5G6PDALOX15ALOX12PTGS1
SCHEMBL5742495 0.70 USP2 (0.48) ALDH1A1KDM4EHTR3EHTR3BCYP1A2
SCHEMBL10609190 0.70 HRH3 (0.63) ALDH1A1KDM4EHTR3EHTR3BCYP1A2
SCHEMBL3798927 0.69 RECQL (0.51) ALDH1A1KDM4EHTR3EHTR3BCYP1A2

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
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed