SCHEMBL9025817

SCHEMBL9025817

COc1ccc(Cl)cc1C(N)c1occ2c(Cl)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.36
CRHR1 P34998 1/20 0.34
ACHE P22303 1/20 0.34
DPP4 P27487 1/20 0.34
NPC1 O15118 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9025568 0.85 METAP2 (0.39) LPAR1ACHENPC1TDP1L3MBTL1
SCHEMBL9027103 0.83 ACHE (0.35) LPAR1ACHEDPP4NPC1TDP1
SCHEMBL9025806 0.78 MAPT (0.39) LPAR1NPC1MAPTRAB9AKMT2A
SCHEMBL9026705 0.77 SLC6A2 (0.37) LPAR1CRHR1ACHENPC1TDP1
SCHEMBL9025682 0.77 HTR2C (0.36) NPC1L3MBTL1MAPTKMT2AMEN1
SCHEMBL9026972 0.75 LPAR1 (0.35) LPAR1NPC1MAPTRAB9ASLC6A2
SCHEMBL9025107 0.74 OPRK1 (0.35) NPC1L3MBTL1MAPTKMT2AMEN1
SCHEMBL9024534 0.74 POLB (0.32) CRHR1NPC1TDP1L3MBTL1RAB9A
SCHEMBL9025767 0.74 SLC9A1 (0.37) NPC1TDP1L3MBTL1MAPTRAB9A
SCHEMBL9026040 0.73 HTR2C (0.39) MAPTSLC6A2SLC6A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed