SCHEMBL6628645

SCHEMBL6628645

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.44
CHRNA4 P43681 12/20 0.44
CHRNB4 P30926 5/20 0.44
CHRNA3 P32297 5/20 0.44
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AKR1C3 P42330 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35

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
SCHEMBL5038365 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL5034040 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL11963203 1.00 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL5034199 0.86 CHRNB2 (0.56) CHRNB2CHRNA4AKR1C3
SCHEMBL5043514 0.83 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3
SCHEMBL5041416 0.83 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3
SCHEMBL5036829 0.82 AKR1C3 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3HCAR2
SCHEMBL5036684 0.82 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6625866 0.82 CHRNB4 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3
SCHEMBL5036628 0.82 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3AKR1C3

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