SCHEMBL7365786

SCHEMBL7365786

NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NN1CCC(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
LNPEP Q9UIQ6 3/20 0.51
LTA4H P09960 8/20 0.48
DPP7 Q9UHL4 2/20 0.48
DPP4 P27487 1/20 0.48
FAP Q12884 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
LAP3 P28838 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
MMP1 P03956 1/20 0.47
ADAM17 P78536 1/20 0.47
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL7373437 0.88 DPP7 (0.56) NPC1RAB9ALNPEPLTA4HDPP7
SCHEMBL7367648 0.88 DPP7 (0.56) NPC1RAB9ALNPEPLTA4HDPP7
SCHEMBL7371920 0.84 NPC1 (0.58) NPC1RAB9ALTA4HDPP7DPP4
SCHEMBL7375300 0.83 NPC1 (0.52) NPC1RAB9ALTA4HMMP1ADAM17
SCHEMBL27386689 0.78 LTA4H (0.65) LNPEPLTA4HLAP3PPARGPPARA
SCHEMBL7364841 0.77 SLC6A5 (0.61) NPC1RAB9APOLB
SCHEMBL7368538 0.77 SLC6A5 (0.61) NPC1RAB9APOLB
SCHEMBL7281929 0.77 MMP9 (0.63) LNPEPLTA4HLAP3PPARG
SCHEMBL7314098 0.76 LNPEP (0.57) LNPEPLTA4HLAP3PPARGPPARA
SCHEMBL7696633 0.76 DPP7 (0.60) NPC1RAB9ALNPEPLTA4HDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed