SCHEMBL19781198

SCHEMBL19781198

C=C(C)NC1CCCCC1C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TAS1R3 Q7RTX0 12/20 0.44
TAS1R1 Q7RTX1 11/20 0.44
TAS1R2 Q8TE23 9/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.43
MLYCD O95822 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL18537605 0.98 EPHX1 (0.53) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL9505661 0.79 EPHX1 (0.53) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL23772197 0.77 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL13191370 0.77 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL10331369 0.77 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL23772463 0.77 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL16204597 0.77 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL13649856 0.77 EPHX1 (0.60) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL21512228 0.77 EPHX1 (0.50) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL22420112 0.77 EPHX1 (0.46) EPHX1TAS1R3TAS1R1TAS1R2SMN1; SMN2

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
WO-2021055637-A1 COMPOUNDS AND USES THEREOF PANO THERAPEUTICS, INC. (US) 2021-03-25 WO disclosed
WO-2018011160-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 WO disclosed