SCHEMBL8807012

SCHEMBL8807012

N#Cc1ncccc1COc1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.49
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SOD1 P00441 1/20 0.42
CYP11B1 P15538 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MAOA P21397 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOS1 P29475 1/20 0.38
HMOX2 P30519 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
SCHEMBL4061725 0.84 LMNA (0.44) MAOBRAB9AHTTL3MBTL1CYP11B1
SCHEMBL9076409 0.83 MAPT (0.49) RAB9ACYP11B1NPC1
SCHEMBL8802961 0.83 DCPS (0.47) MAOBCYP11B1
SCHEMBL29468728 0.80 CYP11B1 (0.39) MAOBHTTCYP11B1MAOA
SCHEMBL29954558 0.80 ENPP2 (0.41) RAB9AL3MBTL1CYP11B1NPC1ALDH1A1
SCHEMBL8804838 0.75 NPC1 (0.48) RAB9AHTTL3MBTL1CYP11B1NPC1
SCHEMBL8803373 0.75 ALDH1A1 (0.47) MAOBRAB9AHTTL3MBTL1CYP11B1
SCHEMBL4058607 0.75 MAPT (0.47) RAB9AHTTL3MBTL1CYP11B1NPC1
SCHEMBL24301622 0.74 PARP10 (0.39) MAOBCYP11B1NOS1
SCHEMBL2108784 0.72 CYP11B1 (0.43) CYP11B1ALDH1A1SMN1; SMN2

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
EP-0556813-B1 Amphoteric tricyclic compounds as antihistaminic and antiallergic agents HOKURIKU PHARMACEUTICAL (JP) 1997-11-26 EP disclosed
US-5334594-A Antihistamines, antiallergens HOKORIKU PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
EP-0556813-A1 Amphoteric tricyclic compounds as antihistaminic and antiallergic agents HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1993-08-25 EP disclosed