Sugi Predict

Sugi Predict / Compounds / SCHEMBL22868465

SCHEMBL22868465

SCHEMBL22868465

CN1CCCC(NC(=O)CCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.56
▸ EPHX1 P07099 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ AGTR2 P50052 1/20 0.47

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
SCHEMBL10211615 0.88 EPHX2 (0.64) EPHX2SIGMAR1
SCHEMBL10212124 0.82 NPC1 (0.68) EPHX2EPHX1HPGDSMN1; SMN2NPC1
SCHEMBL17705940 0.82 EPHX2 (0.75) EPHX2EPHX1HPGDSMN1; SMN2NPC1
SCHEMBL28554753 0.82 EPHX2 (0.80) EPHX2EPHX1HPGDSMN1; SMN2NPC1
SCHEMBL3455859 0.81 EPHX2 (0.83) EPHX2EPHX1HPGDSMN1; SMN2NPC1
SCHEMBL13169536 0.81 EPHX2 (0.83) EPHX2EPHX1HPGDSMN1; SMN2NPC1
SCHEMBL22868443 0.80 ALDH1A1 (0.55) EPHX2EPHX1HPGDSMN1; SMN2
SCHEMBL28704280 0.79 USP30 (0.63) EPHX2EPHX1HPGDSMN1; SMN2MAOA
SCHEMBL4180735 0.79 EPHX2 (0.69) EPHX2EPHX1SIGMAR1
SCHEMBL13176318 0.79 HPGD (0.70) SIGMAR1HPGDSMN1; SMN2NPC1

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-2021003084-A1 P2X7R ANTAGONISTS QIAN LIGANG (US) 2021-01-07 — — WO disclosed