SCHEMBL19234947

SCHEMBL19234947

C=C(c1ccc(NCCN2CCOCC2)cc1)[C@@H](I)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.47
▸ CD274 Q9NZQ7 5/20 0.46
▸ HPGD P15428 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ABHD6 Q9BV23 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4844468 0.81 EPHX2 (0.56) EPHX2CD274HPGDLMNAALDH1A1
SCHEMBL19234948 0.79 LMNA (0.47) EPHX2CD274HPGDLMNAABHD6
SCHEMBL3222256 0.77 EPHX2 (0.54) EPHX2CD274HPGDLMNAALDH1A1
SCHEMBL5741437 0.75 MAPK1 (0.59) EPHX2CD274HPGDLMNAALDH1A1
SCHEMBL19234914 0.75 LMNA (0.48) EPHX2LMNAABHD6SMN1; SMN2CNR1
SCHEMBL19234910 0.75 LMNA (0.48) EPHX2LMNAABHD6SMN1; SMN2CNR1
SCHEMBL27516592 0.75 HRH3 (0.58) EPHX2CD274LMNAALDH1A1HTR1A
SCHEMBL19234903 0.75 LMNA (0.48) EPHX2LMNAABHD6SMN1; SMN2CNR1
SCHEMBL5549334 0.72 MEN1 (0.68) EPHX2LMNAKCNH2CNR1POLB
SCHEMBL18731590 0.71 EPHX2 (0.51) EPHX2CD274HPGDLMNAALDH1A1

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
WO-2017136943-A1 SOMATOSTATIN RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USING THE SAME CDRD VENTURES INC. (CA) 2017-08-17 — — WO disclosed
Send feedback