SCHEMBL7979040

SCHEMBL7979040

CN(C)c1nc2c(OCc3ccccc3)cccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRD4 O60885 3/20 0.43
ROCK1 Q13464 1/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
RAB9A P51151 1/20 0.41
HTR1A P08908 5/20 0.41
ADRA1D P25100 5/20 0.41
ADRA1A P35348 5/20 0.41
ADRA1B P35368 5/20 0.41
RHEB Q15382 1/20 0.40
VCP P55072 1/20 0.40
GRM5 P41594 1/20 0.40
BDKRB2 P30411 1/20 0.40

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
SCHEMBL5173716 0.82 MAPT (0.53) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL21555490 0.81 ADORA1 (0.53) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL7975540 0.80 MAPT (0.50) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL7975777 0.80 ADORA1 (0.46) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL7006553 0.80 RAB9A (0.48) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL7978844 0.80 RHEB (0.49) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL7976919 0.80 KDM4E (0.45) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL7978821 0.79 RAB9A (0.53) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL7981497 0.79 HTR1A (0.47) ADORA1ADORA3ADORA2AMAPTMAPK1
SCHEMBL7978839 0.77 LMNA (0.45) ADORA1ADORA3ADORA2AMAPTMAPK1

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