SCHEMBL16801682

SCHEMBL16801682

c1ccc2c(N3CCCNCC3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.56
ADRB1 P08588 3/20 0.56
NCF1 P14598 3/20 0.50
HTR1A P08908 5/20 0.49
HTR3A P46098 4/20 0.49
HTR7 P34969 3/20 0.49
HTR2A P28223 2/20 0.49
HTR5A P47898 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
MTOR P42345 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1442314 0.94 HTR6 (0.63) HTR6ADRB1NCF1HTR1AHTR3A
SCHEMBL2782013 0.87 LMNA (0.51) HTR6ADRB1HTR1AHTR2ACYP2D6
SCHEMBL1413377 0.85 HTT (0.54) HTR6ADRB1HTR2ACYP2D6KDM4E
Hydrochloric Acid SCHEMBL11852231 0.83 JAK2 (0.55) HTR6HTR1AHTR2ACYP2D6HSD17B10
SCHEMBL6407264 0.83 LMNA (0.51) HTR6ADRB1HTR1ACYP2D6TSHR
SCHEMBL3416625 0.77 HTR1A (0.59) HTR6ADRB1HTR1AHTR3AHTR7
SCHEMBL7548171 0.76 BCHE (0.44) HTR6ADRB1HTR1AHTR2ACYP2D6
SCHEMBL1413397 0.76 HTR6 (0.56) HTR6HTR1AHTR7HTR2AHSD17B10
SCHEMBL1413396 0.76 ALDH1A1 (0.55) NCF1CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL21047718 0.74 BCHE (0.42) HTR6ADRB1HTR1ACYP1A2CYP2D6

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
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO disclosed