SCHEMBL9645648

SCHEMBL9645648

O=C1NCCN(c2cnc3ccccc3c2)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.57
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR3A P46098 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
SCHEMBL11183449 0.81 ALOX5 (0.55) ALOX5CHRNB2CHRNA4HTR3A
SCHEMBL3783753 0.79 CHRNB2 (0.53) CHRNB2CHRNA4HTR3A
SCHEMBL11193669 0.76 HTR3A (0.51) CHRNB2CHRNA4HTR3A
SCHEMBL6009938 0.74 ALOX5 (1.00) ALOX5
SCHEMBL4355823 0.71 CHRNB2 (0.89) CHRNB2CHRNA4HTR3A
SCHEMBL30020071 0.71 CHRNB2 (0.89) CHRNB2CHRNA4HTR3A
Hydrochloric Acid SCHEMBL4057198 0.70 CHRNB2 (0.86) CHRNB2CHRNA4HTR3A
SCHEMBL9645440 0.69 ALOX5 (1.00) ALOX5
SCHEMBL9645242 0.69 CRBN (0.52) ALOX5
SCHEMBL9645660 0.69 CYP11B1 (0.43) CHRNB2CHRNA4HTR3A

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