SCHEMBL20599702

SCHEMBL20599702

CC1CCC(C(=O)OCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13224367 0.89 MAPT (0.38) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL8447826 0.89
SCHEMBL6402662 0.84 MAPT (0.38) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12332811 0.83 MAPT (0.53) MAPTALDH1A1
SCHEMBL15200245 0.83 MAPT (0.53) MAPTALDH1A1
SCHEMBL1286694 0.83 MAPT (0.53) MAPTALDH1A1
SCHEMBL12986878 0.81 ALDH1A1 (0.42) MAPTALDH1A1NPC1
SCHEMBL13400952 0.81 MAPT (0.36) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL13195804 0.81 ALDH1A1 (0.42) MAPTALDH1A1NPC1
SCHEMBL20599687 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645516-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Janssen Pharmaceutica NV (BE) 2020-05-06 EP disclosed
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 WO disclosed