SCHEMBL9653152

SCHEMBL9653152

CC(C)CCOC(=O)NC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.46
POLB P06746 1/20 0.42
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HTR4 Q13639 1/20 0.35
HSD11B1 P28845 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
EPHX2 P34913 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL6888139 0.85 EPHX1 (0.54) EPHX1GAASMN1; SMN2RAB9ACNR1
SCHEMBL643094 0.84 EPHX1 (0.48) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL965953 0.82 EPHX1 (0.43) EPHX1GAASMN1; SMN2RAB9AMAPK1
SCHEMBL8851435 0.82 EPHX1 (0.50) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL9652386 0.81 EPHX1 (0.48) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL20660536 0.80 EPHX1 (0.52) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL953293 0.79 GNAI3 (0.55) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL25500360 0.79 EPHX1 (0.50) EPHX1GAASMN1; SMN2RAB9ACNR1
SCHEMBL883979 0.78 EPHX1 (0.53) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL19086743 0.78 EPHX1 (0.46) EPHX1POLBGNAI3GNAO1GNAI1

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-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed