SCHEMBL24312822

SCHEMBL24312822

O=C(C1CCNCC1)N1CC[C@@H](O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.55
CHRNA3 P32297 7/20 0.55
CHRNA4 P43681 7/20 0.55
CHRNB3 Q05901 5/20 0.55
CHRNA6 Q15825 5/20 0.55
PLAT P00750 1/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA7 P36544 2/20 0.43
TSHR P16473 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42

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
SCHEMBL2148977 0.89 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2146232 0.89 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5242974 0.89 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5242978 0.89 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24312807 0.89 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL2146324 0.88 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19188063 0.86 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24341885 0.86 HPGD (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2673131 0.83 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2673551 0.83 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed