SCHEMBL7981497

SCHEMBL7981497

CCOc1nc2c(OCc3ccccc3)cccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
BRD4 O60885 3/20 0.43
PKM P14618 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ROCK1 Q13464 1/20 0.42
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL7006553 0.88 RAB9A (0.48) HTR1AADRA1DADRA1AADRA1BADORA3
SCHEMBL7978844 0.83 RHEB (0.49) HTR1AADRA1DADRA1AADRA1BADORA3
SCHEMBL5173716 0.82 MAPT (0.53) HTR1AADRA1DADRA1AADRA1BADORA3
SCHEMBL21555490 0.81 ADORA1 (0.53) ADORA3ADORA2AADORA1L3MBTL1MAPT
SCHEMBL7975777 0.80 ADORA1 (0.46) HTR1AADRA1DADRA1AADRA1BADORA3
SCHEMBL7975540 0.80 MAPT (0.50) HTR1AADRA1DADRA1AADRA1BADORA3
SCHEMBL7979040 0.79 ADORA1 (0.46) HTR1AADRA1DADRA1AADRA1BADORA3
SCHEMBL7978821 0.79 RAB9A (0.53) HTR1AADRA1DADRA1AADRA1BADORA3
SCHEMBL7978859 0.79 ADORA1 (0.43) ADORA3ADORA2AADORA1L3MBTL1MAPT
SCHEMBL7976919 0.77 KDM4E (0.45) ADORA3ADORA2AADORA1L3MBTL1MAPT

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