SCHEMBL16975191

SCHEMBL16975191

CCCCOC(=O)N1C(=O)CC[C@H]1Cc1ccc(-c2cc(Cl)ccc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.38
▸ CHRM3 P20309 4/20 0.37
▸ ACE P12821 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ FFAR4 Q5NUL3 6/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ FFAR1 O14842 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
SCHEMBL16930525 0.84 USP30 (0.36) MMECHRM3ACEALDH1A1FFAR4
SCHEMBL16930524 0.84 USP30 (0.36) MMECHRM3ACEALDH1A1FFAR4
SCHEMBL9941763 0.81 CHRM2 (0.39) CHRM3ALDH1A1KMT2A
SCHEMBL16939237 0.81 CHRM3 (0.36) MMECHRM3ACEFFAR4FFAR1
SCHEMBL9941131 0.79 KMT2A (0.37) ALDH1A1KMT2A
SCHEMBL30174945 0.79 L3MBTL1 (0.42) ALDH1A1KMT2A
SCHEMBL1742832 0.79 P2RX7 (0.43) ALDH1A1KMT2A
SCHEMBL14902419 0.76 MME (0.38) MMEALDH1A1KMT2ACNR1
SCHEMBL16939238 0.76 MME (0.36) MMECHRM3ACEFFAR4
SCHEMBL14900465 0.73 RORC (0.40) MMEKMT2A

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
EP-3099678-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2016-12-07 — — EP disclosed
WO-2015116786-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-06 — — WO disclosed
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