SCHEMBL20041102

SCHEMBL20041102

O=C(Nc1ccc(I)cc1)NC1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.72
EPHX2 P34913 4/20 0.72
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL18307140 0.89 EPHX1 (0.84) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL23406296 0.85 EPHX1 (0.90) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL2752957 0.85 EPHX1 (0.97) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL14997509 0.84 EPHX1 (0.72) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL11927282 0.84 EPHX1 (0.63) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL16825746 0.84 EPHX1 (0.72) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL1425082 0.84 EPHX1 (0.72) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL12995588 0.84 EPHX1 (0.63) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL4319424 0.84 EPHX1 (1.00) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL6621016 0.84 EPHX1 (0.71) EPHX1EPHX2RAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2809650-B1 ACYL PIPERIDINE INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE UNIV CALIFORNIA (US) 2018-04-11 EP disclosed