SCHEMBL19251384

SCHEMBL19251384

CCc1ccc(CN2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.53
L3MBTL3 Q96JM7 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47

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
SCHEMBL14924459 0.88 HRH3 (0.53) HRH3L3MBTL3L3MBTL1SMN1; SMN2POLB
SCHEMBL10264415 0.86 L3MBTL3 (0.65) HRH3L3MBTL3L3MBTL1SMN1; SMN2POLB
SCHEMBL16215683 0.85 HRH3 (0.53) HRH3L3MBTL3L3MBTL1SMN1; SMN2MBTD1
SCHEMBL12665893 0.85 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL13222431 0.84 L3MBTL3 (0.63) HRH3L3MBTL3L3MBTL1SMN1; SMN2POLB
SCHEMBL650333 0.84 DRD2 (0.59) HRH3L3MBTL3L3MBTL1SMN1; SMN2RECQL
SCHEMBL14924012 0.84 HRH3 (0.50) HRH3L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL301839 0.84 HRH3 (0.71) HRH3SMN1; SMN2POLBNOS3NOS1
Ammonia Solution, Strong SCHEMBL4962590 0.83 RECQL (0.58) HRH3SMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL1610029 0.83 RECQL (0.58) HRH3SMN1; SMN2RECQL

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
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed