SCHEMBL5216533

SCHEMBL5216533

NCCc1cccc(-c2nccs2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
PDPK1 O15530 1/20 0.56
FFAR1 O14842 1/20 0.51
CARM1 Q86X55 2/20 0.51
PRMT1 Q99873 2/20 0.51
CYP2A6 P11509 1/20 0.46
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
HTR7 P34969 1/20 0.45
ADRB2 P07550 1/20 0.43
AKT2 P31751 1/20 0.43
TAAR1 Q96RJ0 5/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
KARS1 Q15046 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL1019025 0.87 LOXL2 (0.72) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL10336939 0.86 PDPK1 (0.68) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL16169666 0.82 LOXL2 (0.46) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL15805860 0.82 LOXL2 (0.46) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL3969950 0.82 LOXL2 (0.73) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL18313516 0.81 PDPK1 (0.59) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL9454664 0.81 PDPK1 (0.59) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL12747050 0.81 PDPK1 (0.59) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL18586399 0.81 PDPK1 (0.59) LOXL2PDPK1FFAR1CARM1PRMT1
SCHEMBL5012764 0.80 FFAR1 (0.56) LOXL2PDPK1FFAR1CARM1PRMT1

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-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 WO disclosed