SCHEMBL28051546

SCHEMBL28051546

NC(=O)Oc1ccccc1-c1ccc(C2CCNC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.49
PARP1 P09874 1/20 0.47
HTR3A P46098 2/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
HTR6 P50406 1/20 0.46
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44

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
Hydrochloric Acid SCHEMBL28051665 0.99 JAK3 (0.48) JAK3PARP1HTR3AHTR1AHTR1D
SCHEMBL28051677 0.83 PARP1 (0.46) JAK3PARP1
SCHEMBL28051545 0.81 HTR3A (0.47) JAK3PARP1HTR3A
Hydrochloric Acid SCHEMBL28051664 0.80 PARP1 (0.46) JAK3PARP1HTR3A
SCHEMBL28896872 0.77 HTR2C (0.50) HTR1AHTR6
SCHEMBL19668437 0.75 PARP1 (0.60) JAK3PARP1
SCHEMBL19668495 0.75 PARP1 (0.60) JAK3PARP1
SCHEMBL19668438 0.75 PARP1 (0.60) JAK3PARP1
SCHEMBL9673242 0.75 IKBKB (0.46) PARP1HTR2A
SCHEMBL274364 0.74 FABP3 (0.53)

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-105254623-A SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE 2016-01-20 CN claimed
CN-105254623-A SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE 2016-01-20 CN disclosed