SCHEMBL21323087

SCHEMBL21323087

N#Cc1ccc(/C=C/C(=O)N2CCC3CN(C(=O)c4ccc5[nH]nnc5c4)C[C@H]3CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 11/20 0.50
▸ APP P05067 1/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ ATXN2 Q99700 1/20 0.38
▸ FASN P49327 4/20 0.37

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
SCHEMBL16963641 1.00 GPR183 (0.50) GPR183APPKCNH2KDM1AENPP2
SCHEMBL16963638 1.00 GPR183 (0.50) GPR183APPKCNH2KDM1AENPP2
SCHEMBL21323088 1.00 GPR183 (0.50) GPR183APPKCNH2KDM1AENPP2
SCHEMBL17311044 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL16963179 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL16963181 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL21323319 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL17311040 0.96 GPR183 (0.47) GPR183APPKCNH2KDM1AFASN
SCHEMBL21323089 0.93 GPR183 (0.49) GPR183APPKCNH2FASN
SCHEMBL16962290 0.93 GPR183 (0.49) GPR183APPKCNH2FASN

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-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 — — EP disclosed
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