SCHEMBL13565360

SCHEMBL13565360

CC(C)S(=O)(=O)Nc1ccc(CNc2ccc(C(=O)NC3CCCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.50
NAMPT P43490 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD11B1 P28845 3/20 0.48
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
ACACB O00763 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
SCHEMBL10116638 0.90 KMT2A (0.60) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13565362 0.89 RAB9A (0.48) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10116668 0.85 NPC1 (0.56) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13566054 0.85 HPGD (0.51) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10116642 0.83 KMT2A (0.50) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13565069 0.83 ALDH1A1 (0.53) NPC1RAB9AALDH1A1KMT2ANAMPT
SCHEMBL11936004 0.80 EPHX1 (0.60) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13565340 0.80 ENPP3 (0.50) HPGDSMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL13565840 0.80 ALDH1A1 (0.58) HPGDSMN1; SMN2ALDH1A1KMT2ANAMPT
SCHEMBL13565359 0.79 MAPT (0.48) SMN1; SMN2RAB9AALDH1A1LMNACA12

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed