SCHEMBL9558176

SCHEMBL9558176

CCC(C)N(C(=O)c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.43
▸ SLC6A4 P31645 3/20 0.43
▸ SLC6A3 Q01959 3/20 0.43
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34

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
SCHEMBL9557703 0.88 TSHR (0.41) SLC6A2SLC6A4SLC6A3TSHRHPGD
SCHEMBL10721492 0.79 HPGD (0.41) SLC6A2SLC6A4SLC6A3TSHRHPGD
SCHEMBL9557974 0.72 HSP90AA1 (0.40) HPGDALDH1A1KDM4EGPR139HSP90AA1
SCHEMBL3365999 0.72 TSHR (0.52) SLC6A2SLC6A4SLC6A3TSHRHPGD
SCHEMBL9557591 0.71 ALDH1A1 (0.44) HPGDALDH1A1KCNH2
SCHEMBL9558057 0.71 TSHR (0.36) TSHRHPGDALDH1A1HSP90AA1HSP90AB1
SCHEMBL11782487 0.70 TSHR (0.50) SLC6A2SLC6A4SLC6A3TSHRHPGD
SCHEMBL11782048 0.70 TSHR (0.54) SLC6A2SLC6A4SLC6A3TSHRHPGD
SCHEMBL11785050 0.68 TSHR (0.55) SLC6A2SLC6A4SLC6A3TSHRHPGD
SCHEMBL11785578 0.68 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3TSHRHPGD

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
US-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 — — US disclosed
EP-0245950-A2 Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-11-19 — — EP disclosed
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