SCHEMBL11201668

SCHEMBL11201668

CCC1(CC)OC(=O)C(Cc2ncc[nH]2)(c2ccc(Cl)cc2)O1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.37
HSD11B1 P28845 1/20 0.34
HTR1A P08908 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
ADK P55263 1/20 0.31
KCNH2 Q12809 1/20 0.30
FFAR2 O15552 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL11068772 0.86 TAAR1 (0.38) TAAR1HSD11B1HTR1AABCC8KCNJ11
SCHEMBL11070762 0.70 PGR (0.31)
SCHEMBL11069992 0.68 CYP3A4 (0.40)
SCHEMBL11289046 0.64 HSD11B1 (0.34) TAAR1HSD11B1KCNH2FFAR2
SCHEMBL11066903 0.64 MMP13 (0.31)
SCHEMBL2870029 0.59 TAAR1 (0.67) TAAR1HTR1A
SCHEMBL7876980 0.57 TAAR1 (0.45) TAAR1HSD11B1HTR1AFFAR2
SCHEMBL10363200 0.57 NPC1 (0.54) TAAR1NAMPT
SCHEMBL3156012 0.57 TAAR1 (0.71) TAAR1HTR1AABCC8KCNJ11
SCHEMBL10962883 0.56 TAAR1 (0.38) TAAR1KCNH2

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
US-4384879-A PLANTS, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed