SCHEMBL8154237

SCHEMBL8154237

C[C@H](Oc1cncc(-c2ccccc2)c1)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.48
CHRNB1 P11230 8/20 0.48
CHRNB4 P30926 8/20 0.48
CHRNA3 P32297 8/20 0.48
CHRNB3 Q05901 8/20 0.48
CHRNA4 P43681 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
LTA4H P09960 1/20 0.39
BACE1 P56817 1/20 0.38
CHRNA7 P36544 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
INPPL1 O15357 2/20 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
SCHEMBL6632600 0.81 ALOX15 (0.50) LTA4H
SCHEMBL12896100 0.79 GABRA1 (0.54) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL3160983 0.77 CHRNB4 (0.49) CHRNB2CHRNB1CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7840485 0.75 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL7842116 0.75 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8155520 0.75 CHRNB2 (0.40) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL4322787 0.75 CHRNB4 (0.47) CHRNB2CHRNB1CHRNB4CHRNA3CHRNA4
SCHEMBL14966522 0.75 CHRNB4 (0.47) CHRNB2CHRNB1CHRNB4CHRNA3CHRNA4
SCHEMBL8508134 0.70 CHRNB2 (0.57) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3
SCHEMBL7467802 0.70 CHRNB2 (0.51) CHRNB2CHRNB1CHRNB4CHRNA3CHRNB3

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-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed