SCHEMBL5210507

SCHEMBL5210507

CN1CCN(c2ccc(OB(Oc3ccc(N4CCN(C)CC4)cc3)Oc3ccc(N4CCN(C)CC4)cc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ PTK2B Q14289 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ ESR2 Q92731 1/20 0.55
▸ HTR3A P46098 1/20 0.49
▸ SIRT6 Q8N6T7 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CHKA P35790 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ DDB1 Q16531 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 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
SCHEMBL5210514 0.85 GAA (0.52) GAAMAPTALDH1A1KDM4EPTK2B
SCHEMBL7684962 0.82 KCNH2 (0.47) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL5209021 0.80 ALDH1A1 (0.50) GAAMAPTALDH1A1KDM4EKMT2A
SCHEMBL424503 0.80 DRD2 (0.66) GAAMAPTALDH1A1KDM4EPTK2B
SCHEMBL29157642 0.79 KMT2A (0.45) GAAMAPTALDH1A1KDM4EPTK2B
SCHEMBL5210822 0.78 MAPT (0.50) MAPTALDH1A1KDM4EKMT2ANPC1
SCHEMBL12929952 0.76 ALDH1A1 (0.53) GAAMAPTALDH1A1KDM4EPTK2B
SCHEMBL3597710 0.76 MAPT (0.53) GAAMAPTALDH1A1KDM4EPTK2B
SCHEMBL8363117 0.76 KMT2A (0.66) GAAMAPTALDH1A1KDM4EPTK2B
SCHEMBL6917541 0.76 MAPT (0.53) GAAMAPTALDH1A1KDM4EPTK2B

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 5 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
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