SCHEMBL9027103

SCHEMBL9027103

COc1ccc(Cl)cc1C(N)c1occ2cccc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
LPAR1 Q92633 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.33
DPP4 P27487 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL9026705 0.89 SLC6A2 (0.37) ACHELPAR1TDP1L3MBTL1NPC1
SCHEMBL9025767 0.85 SLC9A1 (0.37) TDP1L3MBTL1NPC1RAB9ANPSR1
SCHEMBL9025568 0.83 METAP2 (0.39) ACHELPAR1TDP1L3MBTL1NPC1
SCHEMBL9025817 0.83 LPAR1 (0.36) ACHELPAR1TDP1L3MBTL1NPC1
SCHEMBL9024534 0.81 POLB (0.32) TDP1L3MBTL1NPC1RAB9ANPSR1
SCHEMBL9027093 0.76 LMNA (0.36) ACHELPAR1NPC1RAB9AMAPT
SCHEMBL9025682 0.75 HTR2C (0.36) L3MBTL1NPC1MAPTKMT2AMEN1
SCHEMBL9026972 0.74 LPAR1 (0.35) LPAR1NPC1RAB9AMAPTALDH1A1
SCHEMBL9025107 0.73 OPRK1 (0.35) L3MBTL1NPC1MAPTKMT2AMEN1
SCHEMBL9032014 0.71 MAPT (0.36) NPC1MAPTKMT2AMEN1SLC6A4

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