SCHEMBL7140937

SCHEMBL7140937

CCC(C(=O)O)N(C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL17161709 0.86 NPC1 (0.46) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL17559642 0.86 NPC1 (0.46) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL7469312 0.86 NPC1 (0.49) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL10723226 0.86 NR4A2 (0.58) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL1416482 0.86 NR4A2 (0.58) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL8797872 0.86 NPC1 (0.49) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL8797866 0.86 NPC1 (0.49) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL19578100 0.85 KMT2A (0.45) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL7425740 0.84 CA12 (0.51) NPC1RAB9AADRA2BADRA2CSLC6A2
SCHEMBL10532188 0.84 CA12 (0.51) NPC1RAB9AADRA2BADRA2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1183101-C Derivatives of alpha-amino acid phenyl ester ��˹��ŵ�� 2005-01-05 CN disclosed
EP-1098871-B1 alpha-AMINO ACID PHENYL ESTER DERIVATIVES AKZO NOBEL NV (NL) 2003-07-09 EP disclosed
US-6451854-B1 α-amino acid phenyl ester derivatives AKZO NOBEL N.V. (NL) 2002-09-17 US disclosed
CN-1311770-A Derivatives of alpha-amino acid phenyl ester AKZO NOBEL NV (NL) 2001-09-05 CN disclosed
EP-1098871-A1 $g(a)-AMINO ACID PHENYL ESTER DERIVATIVES Akzo Nobel N.V. (NL) 2001-05-16 EP disclosed
WO-2000005196-A1 α-AMINO ACID PHENYL ESTER DERIVATIVES AKZO NOBEL N.V. (NL) 2000-02-03 WO disclosed