SCHEMBL2820219

SCHEMBL2820219

c1c[nH]c(-c2ccc(C34CCCN(CC3)C4)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.34
ACP1 P24666 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL4460733 0.81 KDR (0.33) PBRM1ACP1
SCHEMBL668390 0.79 ACHE (0.36)
SCHEMBL2818737 0.79 ROCK1 (0.33)
SCHEMBL2820232 0.76
SCHEMBL2823342 0.76 HSD11B1 (0.36) CHRNB4CHRNA3
SCHEMBL2846380 0.76 IL4I1 (0.38) ACP1CHRNB2CHRNB4CHRNA3CHRNA7
Oxalic Acid SCHEMBL5220445 0.75 KDR (0.38) ACP1
Hydrochloric Acid SCHEMBL668528 0.75
SCHEMBL2823249 0.75 ALDH1A1 (0.39) PBRM1
Hydrochloric Acid SCHEMBL2821800 0.75 HSD11B1 (0.35) CHRNB4CHRNA3

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
EP-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP claimed