SCHEMBL11094516

SCHEMBL11094516

NCC(c1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.46
HTR2A P28223 2/20 0.46
AOC3 Q16853 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HRH1 P35367 1/20 0.39
GAA P10253 1/20 0.39
NPBWR1 P48145 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCHR1 Q99705 1/20 0.39
CA2 P00918 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC6A2 P23975 1/20 0.37

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
SCHEMBL18765554 0.80 TSHR (0.50) AOC3TSHRALDH1A1GAANPBWR1
SCHEMBL18079514 0.80 TSHR (0.50) AOC3TSHRALDH1A1GAANPBWR1
SCHEMBL17803383 0.78 TAAR1 (0.48) TAAR1HTR2AAOC3ALDH1A1CHRNB2
SCHEMBL18793672 0.77 TSHR (0.42) HTR2AAOC3TSHRALDH1A1HRH1
SCHEMBL5390976 0.77 TSHR (0.44) AOC3TSHRALDH1A1GAANPBWR1
SCHEMBL15349335 0.77 AOC3 (0.46) TAAR1HTR2AAOC3CARM1PRMT6
SCHEMBL4975365 0.76 TSHR (0.36) HTR2AAOC3TSHRALDH1A1GAA
SCHEMBL525259 0.74 TAAR1 (0.45) TAAR1HTR2AALDH1A1CHRNB2CHRNA4
SCHEMBL12658318 0.73 SLC6A2 (0.50) TAAR1HTR2AAOC3CARM1PRMT6
SCHEMBL20237216 0.73 SLC6A2 (0.50) TAAR1HTR2AAOC3CARM1PRMT6

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-0094963-A4 LEUKOTRIENE ANALOGUES. RESEARCH CORP (US) 1984-09-19 EP disclosed
EP-0094963-A1 LEUKOTRIENE ANALOGUES Research Corporation (US) 1983-11-30 EP disclosed
WO-1983001897-A1 LEUKOTRIENE ANALOGUES RESEARCH CORP (US) 1983-06-09 WO disclosed