SCHEMBL21113554

SCHEMBL21113554

CN(I)Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
RIPK1 Q13546 1/20 0.50
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
SLC6A3 Q01959 2/20 0.48
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
SLC6A2 P23975 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MIF P14174 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
SCHEMBL171949 0.83 TAAR1 (0.66) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL30798825 0.83 TAAR1 (0.66) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL28797876 0.80 TAAR1 (0.56) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL30093277 0.80 TAAR1 (0.56) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL15314804 0.79 TAAR1 (0.47) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL12124994 0.78 TAAR1 (0.55) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL13859022 0.78 TAAR1 (0.50) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL24758551 0.78 TAAR1 (0.48) TAAR1SLC6A3IDO1ALDH1A1SLC6A2
SCHEMBL10294046 0.77 RIPK1 (0.55) TAAR1RIPK1MEN1KMT2AOPRM1
SCHEMBL12089006 0.77 TAAR1 (0.53) TAAR1RIPK1MEN1KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3502099-B1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR MEDSHINE DISCOVERY INC (CN) 2020-12-09 EP disclosed
EP-3502099-A1 CYCLIC COMPOUND ACTING AS PDE4 INHIBITOR Medshine Discovery Inc. (CN) 2019-06-26 EP disclosed