SCHEMBL22118232

SCHEMBL22118232

CCOC(=O)C(=CN(C)c1ccc(OC)cc1)C(=O)c1nccc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL22118240 0.84 NPSR1 (0.39) NPSR1ALDH1A1GAAMAPTPOLB
SCHEMBL29454728 0.84 NPSR1 (0.39) NPSR1ALDH1A1GAAMAPTPOLB
SCHEMBL22118241 0.84 NPSR1 (0.39) NPSR1ALDH1A1GAAMAPTPOLB
SCHEMBL22120305 0.81 FNTA (0.34) FNTAFNTBPKMNPSR1TUBB4A
SCHEMBL22118256 0.81 JAK2 (0.36) NPSR1ALDH1A1GAAMAPTPOLB
SCHEMBL22734614 0.79 KDM4E (0.43) NPSR1ALDH1A1GAAMAPTPOLB
SCHEMBL22734616 0.79 KDM4E (0.43) NPSR1ALDH1A1GAAMAPTPOLB
SCHEMBL29454723 0.79 KDM4E (0.43) NPSR1ALDH1A1GAAMAPTPOLB
SCHEMBL28700542 0.74 SMN1; SMN2 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14698346 0.73 CYP11B1 (0.47) NPSR1ALDH1A1GAAMAPTCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206860-A Bicyclic derivatives for the treatment of endoparasites 礼蓝动物保健有限公司 2022-03-18 CN disclosed
EP-3897842-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 EP disclosed
CN-113490527-A Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2021-10-08 CN disclosed
WO-2020131631-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2020-06-25 WO disclosed