SCHEMBL5236468

SCHEMBL5236468

OCCc1ccc(N2CCCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.48
CHRNA4 P43681 7/20 0.48
ADRB1 P08588 4/20 0.47
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
CHKA P35790 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP28 Q96RU2 1/20 0.43
USP25 Q9UHP3 1/20 0.43
MEN1 O00255 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
SCHEMBL7272847 0.93 ADRB1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5232683 0.91 CHRNB2 (0.46) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL4809382 0.84 CHKA (0.51) CHKAUSP2ALDH1A1HSD17B10MEN1
SCHEMBL12676672 0.83 CHKA (0.53) CHKAUSP2ALDH1A1HSD17B10MEN1
SCHEMBL5238064 0.82 HTR7 (0.51) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL5237023 0.80 CHRNB2 (0.54) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL5232578 0.80 CETP (0.48) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL12298703 0.80 ADRB1 (0.50) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL5237317 0.80 ADRB1 (0.55) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL3318505 0.79 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D

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