SCHEMBL5174681

SCHEMBL5174681

CSc1ccc(N(C(=O)NCCc2cccs2)N(C(=O)NCCc2cccs2)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 7/20 0.44
TAAR1 Q96RJ0 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
OPRM1 P35372 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL5174674 0.82 EPHX1 (0.56) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL10522617 0.74 RAB9A (0.73) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4918739 0.72 EPHX1 (0.64) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL4912495 0.72 CA12 (0.61) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL7904577 0.68 ADAM17 (0.64) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL863136 0.66 NPC1 (0.66) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL9208913 0.66 ADAM17 (0.61) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL26333613 0.66 NPC1 (0.60) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL28872246 0.65 NPC1 (0.64) ADAM17TAAR1NPC1RAB9ASMN1; SMN2
SCHEMBL2731878 0.65 NPC1 (0.68) ADAM17TAAR1NPC1RAB9ASMN1; SMN2

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
EP-1786422-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY Prosidion Limited (GB) 2007-05-23 EP disclosed
WO-2006018662-A2 ARYL UREA DERIVATIVES FOR TREATING OBESITY PROSIDION LIMITED (GB) 2006-02-23 WO disclosed