SCHEMBL5233397

SCHEMBL5233397

CCC(=O)c1ccc(N2CCCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
HTT P42858 1/20 0.48
ADRB1 P08588 3/20 0.47
MAPT P10636 3/20 0.46
MAOB P27338 1/20 0.45
HPGD P15428 2/20 0.45
ESR1 P03372 1/20 0.44
ACVR1 Q04771 1/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
GSK3B P49841 1/20 0.43

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
SCHEMBL8551200 0.94 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10USP2HTT
SCHEMBL16564077 0.86 HTT (0.57) ALDH1A1TSHRHSD17B10HTTMAPT
SCHEMBL10505311 0.86 HTT (0.61) ALDH1A1TSHRHSD17B10HTTMAPT
SCHEMBL2201934 0.84 HTT (0.64) ALDH1A1TSHRHSD17B10HTTMAPT
SCHEMBL5234585 0.83 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10USP2CHRNB2
SCHEMBL3342329 0.82 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10USP2ADRB1
SCHEMBL64895 0.82 HPGD (0.51) ALDH1A1TSHRHSD17B10USP2CHRNB2
SCHEMBL334256 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHSD17B10USP2CHRNB2
SCHEMBL25803069 0.81 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10USP2ADRB1
SCHEMBL5235280 0.79 TSHR (0.54) ALDH1A1TSHRHSD17B10USP2CHRNB2

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
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed