SCHEMBL27916601

SCHEMBL27916601

CC(C)(C)OC(=O)Nc1ccc(CCNCC(O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.62
ADRB2 P07550 4/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ADRB1 P08588 4/20 0.53

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
SCHEMBL17209085 1.00 ADRB3 (0.62) ADRB3ADRB2KDM4EGAASMN1; SMN2
SCHEMBL15995630 0.83 ADRB2 (0.69) ADRB3ADRB2KDM4EGAASMN1; SMN2
SCHEMBL17209086 0.82 NAMPT (0.53) ADRB3ADRB1
SCHEMBL17209087 0.82 NAMPT (0.53) ADRB3ADRB1
SCHEMBL4867710 0.82 ADRB2 (0.60) ADRB3ADRB2KDM4EGAASMN1; SMN2
SCHEMBL4863250 0.82 ADRB2 (0.60) ADRB3ADRB2KDM4EGAASMN1; SMN2
SCHEMBL7042995 0.80 DRD2 (0.59) SMN1; SMN2
SCHEMBL19245597 0.80 ADRB2 (0.67) ADRB3ADRB2KDM4EGAASMN1; SMN2
SCHEMBL19245648 0.80 ADRB2 (0.67) ADRB3ADRB2KDM4EGAASMN1; SMN2
SCHEMBL25159567 0.78 GLS (0.46) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105111165-A Merariveron preparation method UNIV HENAN NORMAL 2015-12-02 CN claimed
CN-105111165-A Merariveron preparation method UNIV HENAN NORMAL 2015-12-02 CN disclosed
CN-103232352-A (R)-4-(2-(2-hydroxyl-2-phenylethylamino)-ethyl) tert-butyl phenylcarbamate SUZHOU UUGENE BIOPHARMA CO LTD 2013-08-07 CN disclosed
CN-103232352-A (R)-4-(2-(2-hydroxyl-2-phenylethylamino)-ethyl) tert-butyl phenylcarbamate SUZHOU UUGENE BIOPHARMA CO LTD 2013-08-07 CN disclosed