SCHEMBL6862878

SCHEMBL6862878

c1ccc(-c2nc3cccc(N4CCNCC4)c3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.51
NCF1 P14598 4/20 0.51
HTR1A P08908 3/20 0.51
HTR7 P34969 3/20 0.51
HTR2A P28223 3/20 0.51
HTR5A P47898 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
MTOR P42345 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL13324655 0.85 HDAC6 (0.50) HTR1AHTR3A
SCHEMBL3274856 0.85 HTR6 (0.45) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL20168047 0.78 ADRB1 (0.51) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL6862876 0.78 HTR6 (0.63) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL4171704 0.73 HTR6 (0.56) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL10633864 0.71 HTR6 (0.50) HTR6NCF1HTR1AHTR7HTR2A
SCHEMBL27761849 0.71 NPC1 (0.56) HSD17B10ALDH1A1HPGDKDM4ENPC1
SCHEMBL27786234 0.70 HTR3A (0.60) HTR6HTR1AHTR7HTR2AHTR5A
SCHEMBL532061 0.70 ACHE (0.68) HTR3AHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL3289568 0.70 HTR2A (0.50) HTR6NCF1HTR1AHTR7HTR2A

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
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed