SCHEMBL9026705

SCHEMBL9026705

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
RRM1 P23921 1/20 0.36
RRM2B Q7LG56 1/20 0.36
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
LPAR1 Q92633 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CRHR1 P34998 1/20 0.33
SCN4A P35499 1/20 0.33
POLB P06746 1/20 0.32
ACHE P22303 1/20 0.32
CTSA P10619 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 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
SCHEMBL9027103 0.89 ACHE (0.35) SLC6A2SLC6A4CHRM2CHRM1RRM1
SCHEMBL9025767 0.84 SLC9A1 (0.37) ALDH1A1POLBCTSAL3MBTL1MEN1
SCHEMBL9025568 0.82 METAP2 (0.39) SLC6A2SLC6A4LPAR1ALDH1A1POLB
SCHEMBL9024534 0.81 POLB (0.32) SLC6A2SLC6A4ALDH1A1CRHR1POLB
SCHEMBL9026972 0.77 LPAR1 (0.35) SLC6A2SLC6A4LPAR1ALDH1A1POLB
SCHEMBL9025817 0.77 LPAR1 (0.36) SLC6A2SLC6A4LPAR1ALDH1A1CRHR1
SCHEMBL9026692 0.76 ADORA3 (0.44) SLC6A2SLC6A4CHRM2CHRM1RRM1
SCHEMBL9025682 0.74 HTR2C (0.36) POLBCTSAL3MBTL1MEN1KMT2A
SCHEMBL9025107 0.72 OPRK1 (0.35) ALDH1A1SCN4APOLBL3MBTL1MEN1
SCHEMBL9025520 0.71 METAP2 (0.38) LPAR1ALDH1A1POLBACHEMEN1

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