SCHEMBL9570724

SCHEMBL9570724

O=C(C1CCc2nccn2C1)n1ccc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.46
TFPI2 P48307 1/20 0.44
NPY4R P50391 1/20 0.44
NOTUM Q6P988 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ADRA1D P25100 2/20 0.39
ADRA1B P35368 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NAMPT P43490 2/20 0.38
CDK9 P50750 2/20 0.37
ELANE P08246 1/20 0.36

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
SCHEMBL31435509 0.76 TFPI2 (0.58) TFPI2NPY4RNOTUMHTR3EHTR3B
SCHEMBL7024843 0.76 TFPI2 (0.58) TFPI2NPY4RNOTUMHTR3EHTR3B
SCHEMBL8985233 0.73 ADRA1A (0.53) ADRA1ANOTUMADRA1DADRA1BNAMPT
SCHEMBL16112524 0.72 ADRA1A (0.48) ADRA1AADRA1DADRA1BNAMPTCDK9
Hydrochloric Acid SCHEMBL31132960 0.72 ADRA1A (0.51) ADRA1ANOTUMADRA1DADRA1BL3MBTL1
SCHEMBL6059869 0.70 HTR3A (0.44) ADRA1ATFPI2NPY4RNOTUMHTR3E
SCHEMBL24424305 0.69 ADRA1A (0.49) ADRA1AADRA1DADRA1BTSHRNAMPT
SCHEMBL21674895 0.69 BRD4 (0.61) ADRA1ANOTUMNAMPT
SCHEMBL9570719 0.67 TFPI2 (0.41) TFPI2NPY4RNOTUMHTR3EHTR3B
SCHEMBL23641525 0.67 ADRA1A (0.40) ADRA1AADRA1DADRA1BNAMPTCDK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP claimed
EP-0532754-A1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-24 EP disclosed