SCHEMBL26115404

SCHEMBL26115404

O=C(O)N1C[C@H](c2ccncc2)C[C@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
HSD11B1 P28845 2/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
PIK3CD O00329 1/20 0.33
GRM5 P41594 1/20 0.33
SPR P35270 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
F2R P25116 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL25362718 0.86 AKR1C3 (0.41) GAAALDH1A1LMNAGRIN2B
SCHEMBL25362834 0.86 AKR1C3 (0.41) GAAALDH1A1LMNAGRIN2B
SCHEMBL5576810 0.86 AKR1C3 (0.41) GAAALDH1A1LMNAGRIN2B
SCHEMBL29007751 0.83 CYP11B2 (0.42) HSD11B1ALDH1A1TRPV6LMNAKDM4E
SCHEMBL17240985 0.83 CYP11B2 (0.42) HSD11B1ALDH1A1TRPV6LMNAKDM4E
SCHEMBL26120343 0.83 CYP11B2 (0.42) HSD11B1ALDH1A1TRPV6LMNAKDM4E
SCHEMBL25364244 0.82 RAB9A (0.40) GAAHSD11B1ALDH1A1MAPTGRIN2B
SCHEMBL25364150 0.82 RAB9A (0.40) GAAHSD11B1ALDH1A1MAPTGRIN2B
SCHEMBL28539670 0.81 HTR2C (0.42) GAAALDH1A1KDM4EF2RGRIN2B
SCHEMBL28532302 0.81 HTR2C (0.42) GAAALDH1A1KDM4EF2RGRIN2B

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-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed