SCHEMBL30720934

SCHEMBL30720934

O=C(OCc1ccccc1)N1CCC2(CC1)CNC2C1CC(OC2CCNCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.43
KDM1A O60341 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIN2B Q13224 5/20 0.41
MAOA P21397 3/20 0.39
NMT1 P30419 1/20 0.39
ENPP2 Q13822 2/20 0.39
ATXN2 Q99700 2/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL30963412 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29927485 0.79 ENPP2 (0.48) SMN1; SMN2NPC1RAB9ACYP2C19KDM1A
SCHEMBL31540024 0.77 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12526670 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL871462 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27302851 0.74 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27302897 0.74 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19KDM1A
SCHEMBL3963846 0.74 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21997640 0.73 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL25726362 0.73 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed