SCHEMBL21757777

SCHEMBL21757777

CCCCOC1CCC(NC)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.31
GBA1 P04062 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL5986706 0.85
SCHEMBL7205082 0.84 EPHX2 (0.42) EPHX2GBA1
SCHEMBL7211449 0.84 EPHX2 (0.42) EPHX2GBA1
SCHEMBL7209031 0.82 EPHX2 (0.41) EPHX2GBA1
SCHEMBL7207714 0.82 EPHX2 (0.41) EPHX2GBA1
SCHEMBL7210764 0.82 EPHX2 (0.41) EPHX2GBA1
SCHEMBL7207720 0.82 EPHX2 (0.41) EPHX2GBA1
SCHEMBL7210761 0.82 EPHX2 (0.41) EPHX2GBA1
SCHEMBL7209033 0.82 EPHX2 (0.41) EPHX2GBA1
SCHEMBL22754933 0.82 EPHX2 (0.35) EPHX2SMN1; SMN2GBA1ADRB2ADRB1

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