SCHEMBL6141550

SCHEMBL6141550

Nc1cccc(CNc2ccc(N)c(CCO)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CYP19A1 P11511 1/20 0.38
NAMPT P43490 1/20 0.38
HDAC1 Q13547 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
ARG1 P05089 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
FFAR1 O14842 5/20 0.36
FFAR4 Q5NUL3 3/20 0.36
ELANE P08246 1/20 0.36
BPTF Q12830 1/20 0.35

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
Hydrochloric Acid SCHEMBL2990498 0.99 MAOA (0.41) MAOAMAOBCYP19A1NAMPTHDAC1
SCHEMBL6141816 0.87 ARG1 (0.36) ARG1
Hydrochloric Acid SCHEMBL2989361 0.86 ARG1 (0.35) ARG1
SCHEMBL6141858 0.84 ARG1 (0.39) ARG1FCGR3BFCGR1AFCGR2AFFAR1
Hydrochloric Acid SCHEMBL2991043 0.83 ARG1 (0.38) ARG1FCGR3BFCGR1AFCGR2AFFAR1
SCHEMBL6739725 0.82 ADRA2B (0.37) MAOAMAOBARG1FCGR3BFCGR1A
Hydrochloric Acid SCHEMBL6271307 0.81 ADRA2B (0.36) FCGR3BFCGR1AFCGR2A
SCHEMBL7563737 0.80 MAPT (0.47) ARG1
SCHEMBL27893797 0.80 MAPT (0.51) HDAC1FCGR3BFCGR1AFCGR2A
SCHEMBL6141590 0.80 MAPT (0.41) HDAC1FFAR1FFAR4

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
EP-1493731-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives Wella Aktiengesellschaft (DE) 2005-01-05 EP disclosed