SCHEMBL3900481

SCHEMBL3900481

CC(C)(C)OC(=O)N1CCC(Cc2ccc(C(=O)NCCOc3cccc(C#N)c3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.55
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
HDAC1 Q13547 1/20 0.48
CCR3 P51677 3/20 0.46
F10 P00742 2/20 0.46
GPR119 Q8TDV5 3/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
SLC2A1 P11166 1/20 0.44
CCR5 P51681 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL3912286 0.88 F10 (0.60) KDM4EPKMCCR3F10GPR119
SCHEMBL3900261 0.87 F10 (0.55) MGLLKDM4EPKMF10LMNA
SCHEMBL3902517 0.84 TGM2 (0.46) F10GPR119MAPTPOLBNPC1
SCHEMBL3974111 0.84 EPHX2 (0.49) MGLLPKMF10GPR119NPC1
SCHEMBL3909028 0.82 F10 (0.43) MGLLKDM4EPKMF10MAPT
SCHEMBL3249543 0.81 MGLL (0.57) MGLLGPR119SLC2A1
SCHEMBL6397967 0.80 MGLL (0.64) MGLLKDM4EPKMCCR3GPR119
SCHEMBL3911528 0.79 RAB9A (0.50) HDAC1F10MAPTPOLBNPC1
SCHEMBL3894603 0.79 RORC (0.40) MGLLKDM4EPKMHDAC1CCR3
SCHEMBL3894607 0.79 RORC (0.40) MGLLKDM4EPKMHDAC1CCR3

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed