SCHEMBL9201579

SCHEMBL9201579

COc1cccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCC(N)C(N)=N[N+](=O)[O-])C(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.38
▸ SLC1A5 Q15758 1/20 0.38
▸ NR1H3 Q13133 3/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CTBP2 P56545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ PTGES O14684 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
SCHEMBL9202319 0.92 SLC1A5 (0.37) TRPM8SLC1A5NR1H3KMT2ACTBP2
SCHEMBL9194668 0.91 TDP1 (0.39) NR1H3TAS2R14KMT2AMEN1TDP1
SCHEMBL9199475 0.89 KMT2A (0.36) TRPM8KMT2AMEN1CTBP2
SCHEMBL9201326 0.87 ALDH1A1 (0.37) NR1H3KMT2AMEN1TDP1
SCHEMBL9195755 0.87 ALDH1A1 (0.37) NR1H3KMT2AMEN1
SCHEMBL9195772 0.84 EPHX1 (0.38) TAS2R14KMT2AMEN1TDP1CHRM1
SCHEMBL9198354 0.84 KMT2A (0.32) KMT2AMEN1TDP1
SCHEMBL9203185 0.83 TDP1 (0.34) KMT2AMEN1TDP1
SCHEMBL9196838 0.83 TDP1 (0.37) KMT2AMEN1TDP1
SCHEMBL9194700 0.82 KMT2A (0.38) NR1H3KMT2AMEN1TDP1

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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