SCHEMBL8777966

SCHEMBL8777966

COc1ccc(NC(=O)NC2CCCC2)c(N)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
EPHX2 P34913 2/20 0.61
EPHX1 P07099 1/20 0.61
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL8122779 0.99 NPC1 (0.64) NPC1RAB9AEPHX2EPHX1TAS1R3
SCHEMBL2753348 0.85 RAB9A (0.63) NPC1RAB9AEPHX2EPHX1TAS1R3
SCHEMBL21230467 0.85 TAS1R3 (0.71) NPC1RAB9AEPHX2EPHX1TAS1R3
SCHEMBL8777820 0.80 ALDH1A1 (0.62) NPC1RAB9AEPHX2EPHX1MAPT
SCHEMBL8777821 0.80 RAB9A (0.77) NPC1RAB9AEPHX2EPHX1MEN1
SCHEMBL8114736 0.79 ALDH1A1 (0.64) NPC1RAB9AEPHX2EPHX1MAPT
SCHEMBL22720136 0.78 RAB9A (0.58) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL20671206 0.78 HTT (0.64) NPC1RAB9AEPHX2EPHX1TAS1R3
SCHEMBL21931143 0.78 KMT2A (0.55) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2751488 0.77 NPC1 (0.97) NPC1RAB9AEPHX2EPHX1MAPT

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
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed