SCHEMBL2877980

SCHEMBL2877980

CC(CCN1CCCC1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
HRH1 P35367 1/20 0.38
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2B P18089 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 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
Hydrochloric Acid SCHEMBL23722066 0.98 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1POLBCHRM1
SCHEMBL30091889 0.98 L3MBTL1 (0.52) L3MBTL1MAPTALDH1A1POLBCHRM1
SCHEMBL6196092 0.89 L3MBTL1 (0.46) L3MBTL1MAPTALDH1A1POLBCHRM1
SCHEMBL4405073 0.83 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL14562932 0.83 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL1855094 0.82 CYP1A2 (0.50) L3MBTL1MAPTALDH1A1POLBCHRM1
Hydrochloric Acid SCHEMBL1859894 0.80 CYP1A2 (0.48) L3MBTL1MAPTALDH1A1POLBCHRM1
SCHEMBL1852896 0.80 CYP1A2 (0.48) L3MBTL1MAPTALDH1A1POLBCHRM1
Hydrochloric Acid SCHEMBL1853458 0.80 CYP1A2 (0.48) L3MBTL1MAPTALDH1A1POLBCHRM1
SCHEMBL30017355 0.79 CHRM2 (0.49) L3MBTL1MAPTALDH1A1POLBCHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO claimed
EP-4073037-A1 SMALL MOLECULE INHIBITORS OF VOLTAGE-GATED SODIUM CHANNEL 1.7 AND METHODS OF USING SAME Duke University (US) 2022-10-19 EP disclosed
CN-111630058-B Glucopyranosyl derivative and use thereof 广东东阳光药业有限公司 2022-02-15 CN disclosed
WO-2010054006-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-05-14 WO disclosed