SCHEMBL28106752

SCHEMBL28106752

NN1CCC(C(=O)OCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
STS P08842 1/20 0.46
FKBP1A P62942 2/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL28106751 1.00 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL28409668 0.92 GABRA1 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL18047420 0.91 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL23816359 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL6642777 0.83 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL24131982 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL24131137 0.82 L3MBTL1 (0.60) SMN1; SMN2NPC1RAB9ATSHRL3MBTL1
SCHEMBL24131658 0.82 L3MBTL1 (0.60) SMN1; SMN2NPC1RAB9ATSHRL3MBTL1
SCHEMBL25501916 0.82 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AHPGD
SCHEMBL15626857 0.81 CHRM2 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103764641-B The tricyclic compound of fractional saturation and preparation and application thereof 扎夫根股份有限公司 2016-10-26 CN disclosed
CN-1305454-A Anthranilic acid derivatives as inhibitors of CGMP phosphodiesterase FUJISAWA PHARMACEUTICAL CO (JP) 2001-07-25 CN disclosed