SCHEMBL7371920

SCHEMBL7371920

NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCC(O)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CACNA1B Q00975 1/20 0.56
DPP7 Q9UHL4 2/20 0.56
DPP4 P27487 1/20 0.55
FAP Q12884 1/20 0.55
DPP8 Q6V1X1 1/20 0.55
DPP9 Q86TI2 1/20 0.55
OPRD1 P41143 2/20 0.53
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
LTA4H P09960 2/20 0.50
LAP3 P28838 1/20 0.50
YAP1 P46937 1/20 0.48

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
SCHEMBL3133533 0.88 OPRD1 (0.65) DPP7DPP4FAPDPP8DPP9
SCHEMBL6161830 0.88 OPRD1 (0.65) DPP7DPP4FAPDPP8DPP9
SCHEMBL7366398 0.87 DPP7 (0.71) NPC1RAB9ADPP7DPP4FAP
Hydrochloric Acid SCHEMBL6163301 0.87 HDAC8 (0.63) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL6163295 0.87 HDAC8 (0.63) DPP7DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL6165745 0.87 HDAC8 (0.63) DPP7DPP4FAPDPP8DPP9
SCHEMBL8190798 0.86 DPP7 (0.59) CACNA1BDPP7DPP4FAPDPP8
SCHEMBL7371854 0.85 DPP7 (0.57) NPC1RAB9ADPP7DPP4FAP
SCHEMBL7403643 0.85 DPP4 (0.61) DPP7DPP4FAPDPP8DPP9
SCHEMBL7372150 0.85 DPP7 (0.57) NPC1RAB9ADPP7DPP4FAP

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