SCHEMBL5339766

SCHEMBL5339766

CCOC(=O)CCCN1CCCC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TNF P01375 12/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ RIN1 Q13671 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL9831747 0.87 L3MBTL1 (0.41) TSHRCYP1A2TNFL3MBTL1RAB9A
SCHEMBL10867514 0.82 CYP1A2 (0.44) TSHRCYP1A2TNFL3MBTL1RAB9A
SCHEMBL10084759 0.81 CYP1A2 (0.50) TSHRCYP1A2TNFL3MBTL1RAB9A
SCHEMBL1855324 0.81 CYP1A2 (0.53) TSHRCYP1A2L3MBTL1RAB9A
SCHEMBL27711788 0.81 THRB (0.45) TSHRCYP1A2L3MBTL1
SCHEMBL856060 0.80 CYP1A2 (0.56) TSHRCYP1A2L3MBTL1RAB9A
SCHEMBL1863035 0.80 CYP1A2 (0.56) TSHRCYP1A2L3MBTL1RAB9A
Bromide SCHEMBL741360 0.79 CYP1A2 (0.55) TSHRCYP1A2L3MBTL1RAB9A
SCHEMBL11861074 0.78 CYP1A2 (0.53) TSHRCYP1A2TNFL3MBTL1RAB9A
SCHEMBL24757426 0.77 CYP1A2 (0.48) TSHRCYP1A2L3MBTL1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007051062-A2 SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-03 — — WO disclosed
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