SCHEMBL21757726

SCHEMBL21757726

O=CNC1CCC2(CCCCO2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.47
ADH1A P07327 4/20 0.47
ADH1C P00326 3/20 0.47
ADH7 P40394 2/20 0.47
ADH4 P08319 1/20 0.45
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL21757622 0.86 ADH1B (0.42) ADH1BADH1AADH1CADH7ADH4
SCHEMBL21757721 0.83 ADH1B (0.44) ADH1BADH1AADH1CADH7ADH4
SCHEMBL6341442 0.78 ALDH1A1 (0.38) GPR119
SCHEMBL2770845 0.72
SCHEMBL2743248 0.71 PRMT1 (0.32)
SCHEMBL126707 0.71
SCHEMBL3658994 0.71 KCNH2 (0.38)
SCHEMBL21757725 0.69 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL21757559 0.69 PRMT1 (0.31)
SCHEMBL23170324 0.69 ADH1B (0.58) ADH1BADH1AADH1CADH7ADH4

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-3215509-B1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC (US) 2020-02-26 EP disclosed