SCHEMBL11005140

SCHEMBL11005140

Nc1nn(CCCN2CCC(O)CC2)c2ccc(Cl)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
MCHR1 Q99705 3/20 0.37
MCHR2 Q969V1 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SLC6A4 P31645 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
DRD2 P14416 2/20 0.36
HRH3 Q9Y5N1 3/20 0.36
DRD3 P35462 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRK1 P41145 1/20 0.36
PDE4D Q08499 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC6A2 P23975 2/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 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
SCHEMBL10370613 0.89 SLC6A4 (0.38) MCHR1SLC6A4SIGMAR1DRD2HRH3
SCHEMBL10370342 0.87 ESR1 (0.39) MCHR1MCHR2SLC6A4HRH3DRD3
SCHEMBL10368600 0.87 TMEM97 (0.43) HRH3KDM4CACHEMAOB
SCHEMBL10368866 0.85 TMEM97 (0.44) HRH3KDM4CACHEMAOB
SCHEMBL11008259 0.85 TMEM97 (0.44) HRH3KDM4CACHEMAOB
SCHEMBL10369087 0.84 HRH4 (0.44) TDP1SLC6A4SIGMAR1DRD2HRH3
SCHEMBL10370645 0.83 MAPT (0.50)
SCHEMBL10831393 0.83 KCNA3 (0.42) MCHR1MCHR2SIGMAR1DRD2DRD3
SCHEMBL10368940 0.82 HRH3 (0.46) HRH3ACHEMAOB
SCHEMBL10368895 0.79 CNR2 (0.36) MCHR1MCHR2HRH3

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
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed