SCHEMBL7965534

SCHEMBL7965534

O=[C]CN(Cc1ccccn1)C(=O)/C=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
TRPM8 Q7Z2W7 5/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL7750272 0.82 HDAC3 (0.42) NPC1L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL7747765 0.80 NPC1 (0.43) NPC1L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL7747894 0.78 NPC1 (0.40) NPC1L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL7747891 0.78 NPC1 (0.40) NPC1L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL7747213 0.78 ALDH1A1 (0.48) NPC1L3MBTL1LMNAKDM4EMAPT
SCHEMBL7747220 0.75 TRPM8 (0.44) L3MBTL1LMNAKDM4EMAPTTRPM8
SCHEMBL7978734 0.73 NPC1 (0.52) NPC1L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL7746460 0.72 NPC1 (0.51) NPC1L3MBTL1HDAC1HDAC3HDAC4
SCHEMBL8037212 0.72 NPC1 (0.43) NPC1L3MBTL1LMNAKDM4EMAPT
SCHEMBL7747215 0.72 TRPM8 (0.48) NPC1L3MBTL1LMNAKDM4EMAPT

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