SCHEMBL28452015

SCHEMBL28452015

CN(C)C(=O)C1CCOc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
SSTR4 P31391 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAP3K14 Q99558 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LTA4H P09960 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
NOTUM Q6P988 1/20 0.36
OPRL1 P41146 1/20 0.35

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
SCHEMBL779793 0.85 P2RX7 (0.38) P2RX7SSTR4MEN1KMT2AUSP2
SCHEMBL5847643 0.80 SSTR4 (0.41) SSTR4SMN1; SMN2GAATRPV1
SCHEMBL5847641 0.80 SSTR4 (0.41) SSTR4SMN1; SMN2GAATRPV1
SCHEMBL29948201 0.80 SSTR4 (0.41) SSTR4SMN1; SMN2GAATRPV1
SCHEMBL30207743 0.80 SSTR4 (0.41) SSTR4SMN1; SMN2GAATRPV1
SCHEMBL769058 0.80 SSTR4 (0.41) SSTR4SMN1; SMN2GAATRPV1
SCHEMBL24075070 0.79 SSTR4 (0.40) SSTR4SMN1; SMN2GAAMAP3K14TRPV1
SCHEMBL31276182 0.79 SSTR4 (0.40) SSTR4SMN1; SMN2GAAMAP3K14TRPV1
SCHEMBL22118222 0.79 SSTR4 (0.40) SSTR4SMN1; SMN2GAAMAP3K14TRPV1
SCHEMBL31085324 0.79 ATM (0.47) SSTR4SMN1; SMN2GAAMAP3K14TRPV1

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-111499619-B Medicine for treating hepatic fibrosis and preparation method thereof 温州医科大学附属第一医院 2021-05-18 CN disclosed
CN-111499619-A Medicine for treating hepatic fibrosis and preparation method thereof 温州医科大学附属第一医院 2020-08-07 CN disclosed