SCHEMBL2592547

SCHEMBL2592547

N=CCc1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.60
HRH3 Q9Y5N1 1/20 0.47
AHR P35869 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
CYP2A6 P11509 1/20 0.46
AOC3 Q16853 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
IDO1 P14902 1/20 0.43
OPRK1 P41145 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5642064 0.84 LOXL2 (0.60) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL5641541 0.82 LOXL2 (0.58) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL29796415 0.82 LOXL2 (0.58) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL1327113 0.82 LOXL2 (0.58) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL325463 0.82 LOXL2 (0.58) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL108898 0.82 LOXL2 (0.58) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL653529 0.82 LOXL2 (0.63) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL2485760 0.82 LOXL2 (0.58) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL31105584 0.82 LOXL2 (0.58) LOXL2HRH3AHRHRH4CYP2A6
SCHEMBL28876206 0.81 LOXL2 (0.56) LOXL2HRH3AHRHRH4CYP2A6

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-2011139242-A2 PROCESS FOR THE PREPARATION OF 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE DERIVATIVES USTAV EXPIREMENTÁLNEJ FARMAKOLÓGIE A TOXIKOLÓGIE SAV (SK) 2011-11-10 WO disclosed