SCHEMBL4875729

SCHEMBL4875729

ON1C[C@@H]2CCN(c3ccc(Cl)nc3)[C@@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 12/20 0.53
CHRNA4 P43681 12/20 0.53
CHRNB4 P30926 9/20 0.53
CHRNA3 P32297 9/20 0.53

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
SCHEMBL654514 0.83 HRH3 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL654513 0.83 HRH3 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27594011 0.83 HRH3 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL650412 0.82 HRH3 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL650240 0.82 HRH3 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3580915 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6782940 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3579848 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7688783 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3572734 0.76 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3

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
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 US claimed