SCHEMBL5209021

SCHEMBL5209021

c1cc(N2CCCCC2)ccc1OB(Oc1ccc(N2CCCCC2)cc1)Oc1ccc(N2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ MAPT P10636 6/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ ALOX15 P16050 4/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50

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
SCHEMBL7684962 0.98 KCNH2 (0.47) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL5209026 0.84 KCNH2 (0.47) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL7684964 0.82 HDAC6 (0.46) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL5210822 0.82 MAPT (0.50) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL5210507 0.80 GAA (0.55) ALDH1A1MAPTKDM4EMEN1GAA
Hydrochloric Acid SCHEMBL30753410 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL6887590 0.79 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EALOX15L3MBTL1
SCHEMBL20748280 0.77 HTR3E (0.66) ALDH1A1MAPTL3MBTL1KMT2ARAB9A
SCHEMBL20415006 0.77 HTR3E (0.66) ALDH1A1MAPTL3MBTL1KMT2ARAB9A
SCHEMBL107369 0.77 HTR3E (0.66) ALDH1A1MAPTL3MBTL1KMT2ARAB9A

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 12 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
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 — — EP disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 — — US disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 — — 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-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 — — EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 — — EP disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 — — WO disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 — — WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 — — WO disclosed
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