SCHEMBL5236809

SCHEMBL5236809

CC1(Cc2ccc(N3CCCNCC3)cc2)OCCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.44
CHRNB2 P17787 7/20 0.42
CHRNA4 P43681 7/20 0.42
SIRT6 Q8N6T7 1/20 0.42
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
KHK P50053 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ADRB2 P07550 1/20 0.37
NCF1 P14598 1/20 0.37
PLD1 Q13393 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5237317 0.76 ADRB1 (0.55) ADRB1CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL20907901 0.74 ADRB1 (0.55) ADRB1CHRNB2CHRNA4SIRT6HTR3E
SCHEMBL14922258 0.74 ADRB1 (0.53) ADRB1SIRT6HTR3EHTR3BHTR3A
SCHEMBL12298703 0.73 ADRB1 (0.50) ADRB1CHRNB2CHRNA4SIRT6HTR3E
SCHEMBL12298581 0.73 ADRB1 (0.50) ADRB1CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL82301 0.71 ADRB1 (0.85) ADRB1CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL5236468 0.71 CHRNB2 (0.48) ADRB1CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL9630200 0.70 DRD2 (0.49) SIGMAR1
SCHEMBL5232578 0.70 CETP (0.48) ADRB1CHRNB2CHRNA4HTR3EHTR3B
SCHEMBL5237023 0.70 CHRNB2 (0.54) ADRB1CHRNB2CHRNA4HTR3EHTR3B

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