SCHEMBL7366398

SCHEMBL7366398

NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.71
HRH3 Q9Y5N1 5/20 0.57
DPP4 P27487 1/20 0.55
FAP Q12884 1/20 0.55
DPP8 Q6V1X1 1/20 0.55
DPP9 Q86TI2 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
HDAC8 Q9BY41 2/20 0.53
LTA4H P09960 1/20 0.53
LAP3 P28838 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL7067745 0.91 DPP7 (0.66) DPP7HRH3NPC1RAB9ACASP3
SCHEMBL8190798 0.89 DPP7 (0.59) DPP7HRH3DPP4FAPDPP8
SCHEMBL7371854 0.88 DPP7 (0.57) DPP7DPP4FAPDPP8DPP9
SCHEMBL7403643 0.88 DPP4 (0.61) DPP7DPP4FAPDPP8DPP9
SCHEMBL7372150 0.88 DPP7 (0.57) DPP7DPP4FAPDPP8DPP9
SCHEMBL7369855 0.87 FAAH (0.62) DPP7HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL7371920 0.87 NPC1 (0.58) DPP7DPP4FAPDPP8DPP9
SCHEMBL7369861 0.87 FAAH (0.62) DPP7HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL1039399 0.87 HDAC8 (0.68) DPP7DPP4FAPDPP8DPP9
SCHEMBL8077871 0.87 HDAC8 (0.68) DPP7DPP4FAPDPP8DPP9

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 4 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
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO 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