SCHEMBL6556626

SCHEMBL6556626

O=C(CC1CN2CCC1CC2)Nc1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.59
▸ KMT2A Q03164 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ MEN1 O00255 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMYD3 Q9H7B4 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
Hydrochloric Acid SCHEMBL5166546 0.99 CHRNA7 (0.58) CHRNA7KMT2ANPC1RAB9AMEN1
SCHEMBL30965967 0.86 CHRNA7 (0.55) CHRNA7KMT2AMEN1
SCHEMBL28686105 0.86 CHRNA7 (0.55) CHRNA7KMT2AMEN1
SCHEMBL14540064 0.85 SMN1; SMN2 (0.52) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL6554336 0.85 CHRNA7 (0.44) CHRNA7KMT2ANPC1RAB9A
SCHEMBL1459331 0.85 CHRNA7 (0.44) CHRNA7KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5168545 0.84 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL5167272 0.84 CHRNA7 (0.43) CHRNA7KMT2ANPC1RAB9AKDM4E
SCHEMBL1460457 0.84 PTPN1 (0.48) KDM4EALDH1A1HTTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL5170194 0.83 PTPN1 (0.47) KMT2AMEN1KDM4EALDH1A1HTT

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-1487834-B1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR BAYER HEALTHCARE AG (DE) 2007-04-25 — — EP disclosed
EP-1487834-A1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Bayer Aktiengesellschaft (DE) 2004-12-22 — — EP disclosed
WO-2003078431-A1 AZA-BICYCLIC N-BIARYLAMIDES WITH AFFINITY FOR THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR BAYER HEALTHCARE AG (DE) 2003-09-25 — — WO disclosed
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