SCHEMBL4983301

SCHEMBL4983301

CCC(C)c1ccc(N(Cc2ccccc2OCc2ccccc2)C(=N)N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALOX5 P09917 1/20 0.41
SLC1A5 Q15758 4/20 0.40
GAA P10253 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT1 Q99873 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PRSS3 P35030 1/20 0.38
CFD P00746 1/20 0.38
F11 P03951 1/20 0.38

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
SCHEMBL5448297 0.85 ALOX5 (0.51) ALOX5
Hydrochloric Acid SCHEMBL4983349 0.84 ALOX5 (0.50) ALOX5
SCHEMBL4981814 0.84 GRIN2D (0.40)
SCHEMBL17887865 0.75 CARM1 (0.51) SLC1A5GAACARM1PRMT1HTR1A
SCHEMBL4982387 0.70 NR1H4 (0.40) ALOX5
SCHEMBL4986163 0.70 ALOX5 (0.56) ALOX5GAAF2PRSS1PRSS2
SCHEMBL6682745 0.69 HTR2A (0.38)
Hydrochloric Acid SCHEMBL4981825 0.69 NR1H4 (0.40) ALOX5
Hydrochloric Acid SCHEMBL4983794 0.69 ALOX5 (0.55) ALOX5GAAF2PRSS1PRSS2
SCHEMBL28572476 0.68 BCHE (0.60) ALOX5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed