SCHEMBL14710

SCHEMBL14710

C[C@@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
MAPT P10636 1/20 0.48
CHRNB2 P17787 5/20 0.47
CHRNA3 P32297 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNB3 Q05901 3/20 0.47
CHRNA6 Q15825 3/20 0.47
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA7 P36544 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL10325650 1.00 HPGD (0.50) HPGDMAPTCHRNB2CHRNA3CHRNA4
SCHEMBL12760603 1.00 HPGD (0.50) HPGDMAPTCHRNB2CHRNA3CHRNA4
Ammonia Solution, Strong SCHEMBL28469178 0.98 HPGD (0.48) HPGDMAPTCHRNB2CHRNA3CHRNA4
Ammonia Solution, Strong SCHEMBL28459544 0.98 HPGD (0.48) HPGDMAPTCHRNB2CHRNA3CHRNA4
SCHEMBL26691473 0.96 HPGD (0.47) HPGDMAPTCHRNB2CHRNA3CHRNA4
SCHEMBL14068466 0.92 ALDH1A1 (0.57) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21087795 0.92 ALDH1A1 (0.57) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL8056381 0.92 ALDH1A1 (0.57) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL14197780 0.90 ALDH1A1 (0.61) HPGDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL478741 0.88 ALDH1A1 (0.58) HPGDMAPTALDH1A1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220247-A1 LRRK2 INHIBITORS INTERLINE THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed