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SCHEMBL17004353

SCHEMBL17004353

c1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3nnc(OC4C5CC6CC4CN(C6)C5)s3)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA7 P36544 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL17004275 0.85 — —
Abt-126 SCHEMBL12695541 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-126 SCHEMBL16033886 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-126 SCHEMBL878680 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-126 SCHEMBL16782423 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17004216 0.78 HCRTR1 (0.30) —
SCHEMBL17004225 0.78 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17004281 0.76 NPC1 (0.31) —
SCHEMBL3833132 0.74 MGAM (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17004237 0.74 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 — — EP disclosed