SCHEMBL7974331

SCHEMBL7974331

O=C(NCCC1CCNCC1)c1[c]cccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.53
ITGA2B P08514 6/20 0.53
CHRM1 P11229 2/20 0.53
ROCK2 O75116 2/20 0.46
NAMPT P43490 1/20 0.44
ACHE P22303 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4633308 0.79 ITGB3 (0.74) ITGB3ITGA2BCHRM1ROCK2ACHE
SCHEMBL26668519 0.77 ITGB3 (0.67) ITGB3ITGA2BCHRM1ROCK2ACHE
SCHEMBL7974335 0.77 ITGB3 (0.60) ITGB3ITGA2BCHRM1ROCK2ACHE
SCHEMBL27647235 0.76 CYP2C19 (0.46) NPC1
SCHEMBL11815953 0.74 ITGB3 (0.61) ITGB3ITGA2BCHRM1L3MBTL1
SCHEMBL1416028 0.74 ALDH1A1 (0.45) NPC1RAB9A
SCHEMBL6767344 0.73 ACKR3 (0.53) CHRM3
SCHEMBL17594622 0.72 NPC1 (0.52) NPC1
SCHEMBL3982704 0.72 TSHR (0.46) MAOBNPC1RAB9AL3MBTL1
SCHEMBL28037255 0.72 MAOB (0.45) MAOBNPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed