SCHEMBL6991046

SCHEMBL6991046

c1ccc(-c2cncc(C3CCN4CCCC34)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA4 P43681 1/20 0.39
CHRNA7 P36544 1/20 0.38
CHRNA6 Q15825 1/20 0.37

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
SCHEMBL8704953 0.77 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL27782824 0.77 SLC18A3 (0.54)
SCHEMBL8134466 0.77 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8704582 0.77 CYP2A6 (0.43) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL8135453 0.77 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7000218 0.72 CHRNA7 (0.36) CHRNB2CHRNA4CHRNA7
SCHEMBL10740876 0.69 SMN1; SMN2 (0.57)
SCHEMBL2080952 0.68 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL2081287 0.67 CHRNB4 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNA4
SCHEMBL2081206 0.67 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-0970083-B1 7a-HETEROCYCLE-SUBSTITUTED HEXAHYDRO-1H-PYRROLIZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2003-04-16 EP claimed
US-5733912-A NERVOUS SYSTEM DISORDERS IN NERVE CELLS ABBOTT LABORATORIES (US) 1998-03-31 US disclosed