SCHEMBL7978985

SCHEMBL7978985

Cn1c(=O)oc2c(O)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DAO P14920 1/20 0.40
MAOA P21397 6/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
EGFR P00533 1/20 0.39
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38

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
SCHEMBL13681603 0.81 HTR1A (0.41) HTR1ADRD2ALDH1A1HPGDCA12
SCHEMBL14867215 0.79 ASAH1 (0.42) MAPTPOLBPKMHTR1ADRD2
SCHEMBL5542528 0.78 HTR1A (0.42) HTTPKMHTR1ADRD2DAO
SCHEMBL5543874 0.78 JAK2 (0.48) POLBPKMHTR1ADRD2ALDH1A1
SCHEMBL5546415 0.78 JAK2 (0.42) PKMHTR1ADRD2ALDH1A1HPGD
SCHEMBL14034640 0.78 HTR1A (0.40) HTTPOLBPKMHTR1ADRD2
SCHEMBL638426 0.77 MAOB (0.40) MAPTPOLBPKMHTR1ADRD2
SCHEMBL21818536 0.77 ALDH1A1 (0.42) HTR1ADRD2MAOAALDH1A1HPGD
SCHEMBL24656305 0.75 HTR1A (0.38) MAPTPOLBPKMHTR1ADRD2
SCHEMBL21893887 0.75 HTR1A (0.38) HTTPOLBPKMHTR1ADRD2

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-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed