SCHEMBL5211469

SCHEMBL5211469

CN1CCCN(C)[P]1(O)Cc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SIGMAR1 Q99720 2/20 0.39
GFER P55789 3/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
ADRA2C P18825 1/20 0.34
PTK2B Q14289 1/20 0.34
ESR2 Q92731 1/20 0.34
PPID Q08752 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
MAOB P27338 2/20 0.32
CHKA P35790 2/20 0.32
CA2 P00918 1/20 0.32
NCF1 P14598 1/20 0.32

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
SCHEMBL5208106 0.79 LMNA (0.42) LMNAALDH1A1SIGMAR1GFERCYP3A4
SCHEMBL2029434 0.71 ALDH1A1 (0.37) LMNAALDH1A1SIGMAR1GFERCYP3A4
SCHEMBL27521360 0.68 ALDH1A1 (0.41) LMNAALDH1A1GFERCYP3A4TSHR
SCHEMBL7752128 0.68 ALDH1A1 (0.37) LMNAALDH1A1SIGMAR1GFERCYP3A4
SCHEMBL5209368 0.67 ALDH1A1 (0.41) LMNAALDH1A1GFERCYP3A4TSHR
SCHEMBL8641317 0.67 ALDH1A1 (0.39) LMNAALDH1A1GFERCYP3A4TSHR
SCHEMBL5651768 0.64 SIGMAR1 (0.64) ALDH1A1SIGMAR1GFERCYP3A4TSHR
SCHEMBL3153045 0.63 ALDH1A1 (0.88) LMNAALDH1A1TDP1KDM4EKMT2A
SCHEMBL7753020 0.62 ALDH1A1 (0.34) LMNAALDH1A1GFERCYP3A4TSHR
SCHEMBL12834843 0.62 LMNA (0.86) LMNAALDH1A1KDM4ECHKACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed