Sugi Predict

Sugi Predict / Compounds / SCHEMBL689085

SCHEMBL689085

SCHEMBL689085

CCC(C)NC(=O)OC1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 7/20 0.61
▸ CDK4 P11802 6/20 0.45
▸ CCND1 P24385 6/20 0.45
▸ POLB P06746 1/20 0.42
▸ ABCB1 P08183 2/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ ELANE P08246 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
SCHEMBL689326 0.86 NR1H4 (0.63) NR1H4CDK4CCND1POLBABCB1
SCHEMBL274049 0.85 NR1H4 (0.69) NR1H4CDK4CCND1POLBABCB1
SCHEMBL689005 0.82 NR1H4 (0.57) NR1H4CDK4CCND1POLBABCB1
SCHEMBL688141 0.82 NR1H4 (0.57) NR1H4CDK4CCND1POLBABCB1
SCHEMBL687653 0.81 NR1H4 (0.56) NR1H4CDK4CCND1POLBABCB1
SCHEMBL687830 0.81 NR1H4 (0.56) NR1H4CDK4CCND1POLBABCB1
SCHEMBL274804 0.79 NR1H4 (0.76) NR1H4CDK4CCND1POLBABCB1
SCHEMBL274628 0.78 NR1H4 (0.83) NR1H4CDK4CCND1POLB
SCHEMBL275098 0.78 NR1H4 (0.71) NR1H4CDK4CCND1POLBABCB1
SCHEMBL275099 0.77 NR1H4 (0.72) NR1H4CDK4CCND1POLBABCB1

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
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 — — EP claimed