SCHEMBL13634228

SCHEMBL13634228

O=C(O)c1coc(N2CCC(Oc3cnccn3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
NAAA Q02083 9/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ACACB O00763 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RET P07949 1/20 0.35
P2RX7 Q99572 1/20 0.34

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
SCHEMBL13163111 0.85 EPHX2 (0.47) EPHX2RET
SCHEMBL15888649 0.85 NAAA (0.43) EPHX2NAAACYP2C9KDM4EACACB
SCHEMBL13163108 0.82 EPHX2 (0.42) EPHX2CYP2C9KDM4EACACB
SCHEMBL13634347 0.79 KDM5A (0.44) EPHX2ACACBRET
SCHEMBL13634227 0.79 DPP4 (0.44) ACACB
SCHEMBL13634319 0.78 NAAA (0.48) EPHX2NAAACYP2C9KDM4ECHRM2
SCHEMBL13634229 0.77 HRH3 (0.40)
SCHEMBL13634225 0.76 EPHX2 (0.38) EPHX2CYP2C9KDM4EACACB
SCHEMBL13162320 0.76 NAAA (0.43) EPHX2NAAACYP2C9KDM4ECHRM2
SCHEMBL5266581 0.75 EPHX2 (0.60) EPHX2NAAACYP2C9CHRM2CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed