SCHEMBL11070029

SCHEMBL11070029

CCCCCn1c(CCN2CCN(c3ccccc3)CC2)nc2ccc3ccccc3c21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.48
HTR7 P34969 5/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 2/20 0.45
NPSR1 Q6W5P4 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 2/20 0.43
PARP1 P09874 1/20 0.42

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
SCHEMBL11065358 0.97 TSHR (0.49) HTR1AHTR7ALDH1A1LMNAHTT
SCHEMBL10601141 0.84 PDE10A (0.55) HTR1AHTR7ALDH1A1HTTTSHR
SCHEMBL11060823 0.83 TLR8 (0.54) HTR1AHTR7ALDH1A1LMNASIGMAR1
SCHEMBL11073097 0.82 ALDH1A1 (0.47) HTR1AHTR7ALDH1A1LMNAHTT
SCHEMBL11059735 0.80 SIGMAR1 (0.53) HTR1AHTR7ALDH1A1TSHRSMN1; SMN2
SCHEMBL10602407 0.80 HTR1A (0.44) HTR1AHTR7ALDH1A1HTTSIGMAR1
SCHEMBL11282844 0.80 PDE10A (0.53) HTR1AHTR7SIGMAR1DRD2DRD3
SCHEMBL11073093 0.79 ALDH1A1 (0.46) HTR1AHTR7ALDH1A1LMNAHTT
SCHEMBL11073089 0.78 PDE10A (0.48) HTR1AHTR7ALDH1A1LMNAHTT
SCHEMBL11069700 0.77 HTR7 (0.57) HTR1AHTR7ALDH1A1LMNAHTT

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-4461894-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1984-07-24 US disclosed
US-4360674-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-11-23 US disclosed