SCHEMBL19960593

SCHEMBL19960593

CC1C(=O)Nc2ccccc2C1C(=O)NC1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 1/20 0.43
GRM7 Q14831 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
HRH3 Q9Y5N1 2/20 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
SCHEMBL19960511 0.76 ALDH1A1 (0.61) FABP5GRM7MAPTALDH1A1MTNR1A
SCHEMBL19960824 0.76 ALDH1A1 (0.61) FABP5GRM7MAPTALDH1A1MTNR1A
SCHEMBL19960823 0.76 ALDH1A1 (0.61) FABP5GRM7MAPTALDH1A1MTNR1A
SCHEMBL19960702 0.75 FABP5 (0.41) FABP5GRM7MAPTALDH1A1MTNR1A
SCHEMBL19960879 0.75 MEN1 (0.42) FABP5GRM7MAPTL3MBTL1MTNR1A
SCHEMBL19960814 0.71 MAPT (0.43) MAPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL6220534 0.69 BRPF1 (0.52) MAPTALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL19960861 0.68 FABP5 (0.42) FABP5GRM7MAPTALDH1A1MTNR1A
SCHEMBL19953525 0.66 ALDH1A1 (0.44) FABP5GRM7ALDH1A1NPC1LMNA
SCHEMBL1029693 0.65 MTNR1A (0.77) GRM7MAPTMTNR1AMTNR1BNPC1

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
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed