SCHEMBL3839963

SCHEMBL3839963

COc1ccc(-c2ccc(OC3CN4CCC3CC4)nn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.62
NTMT1 Q9BV86 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
LSS P48449 1/20 0.39

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
SCHEMBL3839959 1.00 CHRNA7 (0.62) CHRNA7NTMT1KDM4ENPC1MAPT
SCHEMBL1459274 0.88 CHRNA7 (0.65) CHRNA7NTMT1MAPTCHRNB2CHRNA4
SCHEMBL1459276 0.88 CHRNA7 (0.65) CHRNA7NTMT1MAPTCHRNB2CHRNA4
SCHEMBL3840226 0.86 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL3840224 0.86 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3A
SCHEMBL1542809 0.85 CHRNA7 (0.65) CHRNA7NTMT1CHRNB2CHRNA4LSS
SCHEMBL3840206 0.85 CHRNA7 (0.65) CHRNA7NTMT1NPC1RAB9ACHRNB2
SCHEMBL1542514 0.85 CHRNA7 (0.65) CHRNA7NTMT1CHRNB2CHRNA4
SCHEMBL3840208 0.85 CHRNA7 (0.65) CHRNA7NTMT1NPC1RAB9ACHRNB2
SCHEMBL5421431 0.85 CHRNA7 (0.65) CHRNA7CHRNB2CHRNA4

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-8236803-B2 Aza-bicycloalkyl ethers and their use as alpha7-nAChR agonists NOVARTIS AG (CH) 2012-08-07 US claimed
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP claimed
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP disclosed