SCHEMBL26115372

SCHEMBL26115372

O=CC12CCC(CC1)N2C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HTR2C P28335 1/20 0.47
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX4 Q99571 1/20 0.41
PREP P48147 1/20 0.41

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
SCHEMBL1164489 0.87 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5118035 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL14609981 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL26113894 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL204928 0.79 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL5122115 0.79 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL25417193 0.79 HTT (0.42) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL26114198 0.78 POLB (0.38) SMN1; SMN2RAB9AGAAMAPK1KMT2A
SCHEMBL5127061 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL14012890 0.77 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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-2023180472-A1 HYDROXYMETHYL AZABICYCLO[2.2.1]HEPTANES AND MEDICAL USES THEREOF ATROGI AB (SE) 2023-09-28 WO disclosed