SCHEMBL31464974

SCHEMBL31464974

O=C(C1CC1)N1CCN(C(=O)[C@H]2CNCCO2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.53
CHRNA3 P32297 4/20 0.53
CHRNA4 P43681 4/20 0.53
CHRNB3 Q05901 2/20 0.53
CHRNA6 Q15825 2/20 0.53
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
CHRNB4 P30926 2/20 0.42
CHRNA7 P36544 2/20 0.42
SSTR4 P31391 1/20 0.40
RECQL P46063 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 3/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 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
SCHEMBL30860003 1.00 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13012231 0.85 SSTR4 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15408885 0.83 SSTR4 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL15322195 0.83 SSTR4 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL15322193 0.83 SSTR4 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4204653 0.81 SSTR4 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3556206 0.81 SSTR4 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10403379 0.77 SSTR4 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9066841 0.77 RECQL (0.49) HPGDSSTR4RECQLKDM4E
SCHEMBL23721631 0.76 SSTR4 (0.39) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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
CN-119968364-A Pyridazin-3 (2H) -one and pyridin-2 (1H) -one PARP inhibitor compounds 阿兹卡拉疗法公司 2025-05-09 CN disclosed