SCHEMBL9645883

SCHEMBL9645883

O=C1CCCN(c2nc3ccccc3o2)N1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.52
ALOX5 P09917 9/20 0.51
GABRP O00591 4/20 0.50
GABRD O14764 4/20 0.50
GABRA1 P14867 4/20 0.50
GABRB1 P18505 4/20 0.50
GABRG2 P18507 4/20 0.50
GABRB3 P28472 4/20 0.50
GABRA5 P31644 4/20 0.50
GABRA3 P34903 4/20 0.50
GABRA2 P47869 4/20 0.50
GABRB2 P47870 4/20 0.50
GABRA4 P48169 4/20 0.50
GABRE P78334 4/20 0.50
GABRA6 Q16445 4/20 0.50
GABRG1 Q8N1C3 4/20 0.50
GABRG3 Q99928 4/20 0.50
GABRQ Q9UN88 4/20 0.50
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46

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
SCHEMBL9645197 0.78 ALOX5 (0.51) CRBNALOX5GABRPGABRDGABRA1
SCHEMBL21047882 0.73 ELANE (0.50) CRBNGABRPGABRDGABRA1GABRB1
SCHEMBL21047790 0.72 CRBN (0.54) CRBNGABRPGABRDGABRA1GABRB1
SCHEMBL9645827 0.71 ALOX5 (0.54) CRBNALOX5HTR3AHTT
SCHEMBL30903262 0.71 ELANE (0.57) CRBNCHRNA7HTR3AELANELMNA
SCHEMBL5021493 0.71 ELANE (0.61) CRBNCHRNA7HTR3AELANELMNA
SCHEMBL31472604 0.71 ELANE (0.61) CRBNCHRNA7HTR3AELANELMNA
SCHEMBL9645891 0.70 GABRP (0.48) CRBNGABRPGABRDGABRA1GABRB1
SCHEMBL21047659 0.70 CRBN (0.52) CRBNGABRPGABRDGABRA1GABRB1
SCHEMBL5021503 0.69 ELANE (0.62) CRBNGABRPGABRDGABRA1GABRB1

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
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
EP-0299449-A2 Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1989-01-18 EP disclosed