SCHEMBL7674972

SCHEMBL7674972

CC(NC(=O)C(C)c1c[nH]c2ccccc12)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.52
▸ ECE1 P42892 2/20 0.50
▸ SSTR4 P31391 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ METAP2 P50579 6/20 0.47
▸ METAP1 P53582 6/20 0.47
▸ PDE2A O00408 1/20 0.46

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
SCHEMBL7563351 0.83 MMP9 (0.56) ECE1GAA
SCHEMBL7672369 0.81 ECE1 (0.59) ECE1GAA
SCHEMBL27232779 0.81 MEN1 (0.57) LMNAGAAPDE2A
SCHEMBL27222128 0.81 MEN1 (0.57) LMNAGAAPDE2A
SCHEMBL7671952 0.79 MMP9 (0.47) ECE1GAA
SCHEMBL4001238 0.78 GPR84 (0.54) GAA
SCHEMBL7677146 0.78 MAPT (0.44) ECE1GAA
SCHEMBL7868509 0.78 LMNA (0.59) SSTR4LMNAGAAMETAP2METAP1
SCHEMBL13797509 0.78 LMNA (0.59) SSTR4LMNAGAAMETAP2METAP1
SCHEMBL14521509 0.78 LMNA (0.59) SSTR4LMNAGAAMETAP2METAP1

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-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 — — US disclosed
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