SCHEMBL10389963

SCHEMBL10389963

BrCCCCCCOCCOc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.50
CHRNA4 P43681 7/20 0.50
KMT2A Q03164 1/20 0.43
CHRNA3 P32297 2/20 0.42
CHRNA7 P36544 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRND Q07001 1/20 0.42
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
ORAI1 Q96D31 1/20 0.40

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
SCHEMBL4944203 0.92 CHRNB2 (0.57) CHRNB2CHRNA4KMT2ACHRNA3CHRNA7
SCHEMBL27553087 0.85 CHRNB2 (0.61) CHRNB2CHRNA4KMT2ACHRNA3CHRNA7
SCHEMBL31742565 0.85 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL10390507 0.80 KCNA3 (0.59) NPC1MAPTSMN1; SMN2
SCHEMBL1428297 0.80 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL10802704 0.79 KCNA3 (0.61) NPC1MAPTSMN1; SMN2
SCHEMBL23596366 0.78 CHRNB2 (0.60) CHRNB2CHRNA4KMT2ANPC1LMNA
SCHEMBL20930335 0.78 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL29469519 0.78 CHRNB2 (0.56) CHRNB2CHRNA4KMT2ACHRNA3CHRNB4
SCHEMBL12568183 0.78 CHRNB2 (0.56) CHRNB2CHRNA4KMT2ACHRNA3CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4937268-A TREATMENT OF ASTHMA, CHRONIC BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-06-26 US disclosed
EP-0286242-A2 Ethanolamine derivates, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1988-10-12 EP disclosed