SCHEMBL5210822

SCHEMBL5210822

c1cc(N2CCOCC2)ccc1OB(Oc1ccc(N2CCOCC2)cc1)Oc1ccc(N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ HTT P42858 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ LGMN Q99538 1/20 0.44
▸ TSHR P16473 2/20 0.44

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
SCHEMBL3016819 0.85 ALDH1A1 (0.47) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL7684962 0.83 KCNH2 (0.47) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL5209021 0.82 ALDH1A1 (0.50) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL9093746 0.80 LMNA (0.71) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL5210507 0.78 GAA (0.55) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL2208450 0.78 AKR1C3 (0.68) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL19615164 0.78 LMNA (0.52) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL27522091 0.78 LMNA (0.52) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL4349056 0.76 AKR1C3 (0.66) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL1825155 0.76 MAPT (0.50) MAPTALDH1A1KMT2AHTTMEN1

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 14 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-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 — — US disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 — — US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 — — EP 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-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 — — EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE 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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