SCHEMBL31344798

SCHEMBL31344798

N#Cc1ccc2oc(C3CCOCC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CETP P11597 7/20 0.46
USP30 Q70CQ3 4/20 0.45
MPO P05164 1/20 0.44
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HDAC4 P56524 1/20 0.38
PIK3CA P42336 1/20 0.36
CYP2A6 P11509 1/20 0.36
PTGES O14684 1/20 0.36
PSMB8 P28062 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
SCHEMBL2711642 0.86 MPO (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2CETP
SCHEMBL10267105 0.83 USP30 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2USP30
SCHEMBL29780552 0.78 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MPO
SCHEMBL20304414 0.78 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MPO
SCHEMBL15944063 0.77 MPO (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2CETP
SCHEMBL24251975 0.77 RAB9A (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2USP30
Hydrochloric Acid SCHEMBL15673104 0.76 MPO (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2CETP
SCHEMBL31344795 0.76 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2USP30
SCHEMBL26360991 0.74 RAB9A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2USP30
SCHEMBL24251896 0.74 RAB9A (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2CETP

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
CN-119569651-A Carboxamide derivatives, pharmaceutical compositions containing the same, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2025-03-07 CN disclosed