SCHEMBL6625866

SCHEMBL6625866

O=C(O)N1C[C@@H]2CC1CN2c1cncc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
SLC6A7 Q99884 1/20 0.40
CHRNA7 P36544 2/20 0.40
KCNH2 Q12809 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
AKR1C3 P42330 1/20 0.36

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
SCHEMBL5034199 0.82 CHRNB2 (0.56) CHRNB2CHRNA4SLC6A7AKR1C3
SCHEMBL5034040 0.82 CHRNB2 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4AKR1C3
SCHEMBL6628645 0.82 CHRNB2 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4AKR1C3
SCHEMBL5038365 0.82 CHRNB2 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4AKR1C3
SCHEMBL11963203 0.82 CHRNB2 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4AKR1C3
SCHEMBL5036684 0.80 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5038467 0.80 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4AKR1C3
SCHEMBL5043575 0.79 GPR119 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL5043499 0.79 GPR119 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL5037322 0.79 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7

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
EP-1144413-B1 2,5-DIAZABICYCLO 2.2.1]HEPTANE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USES SANOFI SYNTHELABO (FR) 2004-03-17 EP disclosed
US-6635645-B1 Nicotinic receptors dysfunction SANOFI-SYNTHELABO (FR) 2003-10-21 US disclosed