SCHEMBL23355702

SCHEMBL23355702

O=C1CCN(c2ccc(CCO)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.44
TP53BP1 Q12888 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CHKA P35790 2/20 0.39
S1PR1 P21453 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38

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
SCHEMBL4809382 0.81 CHKA (0.51) L3MBTL3TP53BP1L3MBTL1CA2CHKA
SCHEMBL12676672 0.79 CHKA (0.53) L3MBTL3L3MBTL1CHKATDP1POLB
SCHEMBL931389 0.78 SLC13A5 (0.52) L3MBTL3L3MBTL1TDP1SLC13A5MEN1
SCHEMBL6074717 0.77 ITGB3 (0.59) CA2ITGB3ITGA2BTSHRPOLB
SCHEMBL20888413 0.77 S1PR1 (0.44) L3MBTL3TP53BP1L3MBTL1ITGB3ITGA2B
SCHEMBL7272847 0.76 ADRB1 (0.53) TSHRLMNA
SCHEMBL15392533 0.76 CHKA (0.65) L3MBTL1CHKAGFERMAPTKMT2A
SCHEMBL7284125 0.75 MAPT (0.50) CA2CA12CA1CA9TDP1
SCHEMBL28512583 0.75 GFER (0.61) L3MBTL1TSHRTDP1GFERMEN1
SCHEMBL11851538 0.74 L3MBTL1 (0.49) L3MBTL3TP53BP1L3MBTL1TSHRTDP1

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-3820474-A1 ADENOSINE RECEPTOR BINDING COMPOUNDS Nikang Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-112423758-A Adenosine receptor binding compounds 尼康治疗公司 2021-02-26 CN disclosed