SCHEMBL29976288

SCHEMBL29976288

CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
KMT2A Q03164 1/20 0.42
ACKR3 P25106 3/20 0.42
F2 P00734 1/20 0.42
ABCC3 O15438 1/20 0.42
ABCB11 O95342 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 1/20 0.42
TACR2 P21452 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
HIF1A Q16665 4/20 0.42
EPAS1 Q99814 4/20 0.42

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
SCHEMBL13535271 0.84 KMT2A (0.49) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL27802495 0.84 CHRNB2 (0.51) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL27778860 0.83 ALDH1A1 (0.53) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL27779058 0.83 ALDH1A1 (0.53) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL27778861 0.83 ALDH1A1 (0.53) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL5190875 0.82 ALDH1A1 (0.49) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL31740140 0.81 SSTR4 (0.53)
SCHEMBL13535512 0.76 CHRNB2 (0.56) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL12337286 0.74 CCR2 (0.41) MAPT
SCHEMBL5191569 0.73 ALDH1A1 (0.47) ALDH1A1MAPTHTTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12208107-B2 Method and compositions for the treatment of anemia through the inhibition of furin BRIGHAM YOUNG UNIVERSITY (US) 2025-01-28 US disclosed
EP-4135740-A1 AEROSOLIZED FORMULATIONS OF HIV PROTEASE INHIBITORS FOR THE TREATMENT OF AIRWAY REFLUX The Medical College of Wisconsin, Inc. (US) 2023-02-22 EP disclosed
US-20230038724-A1 METHOD AND COMPOSITIONS FOR THE TREATMENT OF ANEMIA THROUGH THE INHIBITION OF FURIN BRIGHAM YOUNG UNIVERSITY 2023-02-09 US disclosed
US-11458148-B2 Method and compositions for the treatment of anemia through the inhibition of furin BRIGHAM YOUNG UNIVERSITY (US) 2022-10-04 US disclosed