SCHEMBL4677861

SCHEMBL4677861

CC(C)(C)N(C(=O)O)C1(Nc2cc(Cl)c(Cl)cc2C#N)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ NR3C2 P08235 1/20 0.30
▸ AR P10275 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
SCHEMBL16989778 0.70 ALDH1A1 (0.46) CETPALDH1A1
SCHEMBL495955 0.67 MEN1 (0.33) MEN1ALDH1A1KMT2APGRNR3C2
SCHEMBL2030849 0.63 OPRL1 (0.38) MEN1KMT2APGR
SCHEMBL404545 0.61 ALDH1A1 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL2025987 0.60 CCR2 (0.43) MEN1ALDH1A1KMT2A
SCHEMBL2508530 0.59 OPRL1 (0.42) MEN1KMT2APGR
SCHEMBL4368419 0.59 FER (0.36) MEN1KMT2APGRNR3C2AR
SCHEMBL1722705 0.58 — —
SCHEMBL19974337 0.58 AKR1C1 (0.33) AR
SCHEMBL1352136 0.58 CCR2 (0.43) MEN1ALDH1A1KMT2A

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-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 — — EP disclosed
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