SCHEMBL4714894

SCHEMBL4714894

NCCN1CCCCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.50
▸ CHRNA7 P36544 2/20 0.50
▸ CHRNA4 P43681 2/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CFB P00751 2/20 0.44
▸ PRMT3 O60678 1/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ PRMT8 Q9NR22 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 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
SCHEMBL11452553 0.95 CHRNB2 (0.56) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL18751632 0.90 CHRNB2 (0.56) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7965310 0.89 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8512321 0.88 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL9673634 0.85 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL3594198 0.85 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL9673637 0.85 CHRNB2 (0.53) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL4318786 0.83 CHRNB2 (0.54) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL6064054 0.83 CHRNB2 (0.50) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL4955342 0.81 CHRNB2 (0.55) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 — — EP disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 — — WO disclosed
US-4812451-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 — — US disclosed
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