SCHEMBL9201153

SCHEMBL9201153

NC(=O)[C@H](CCC(N)C(N)=N[N+](=O)[O-])N(CCC(c1ccccc1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ GRM3 Q14832 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL9198184 0.91 MAPT (0.33) CNR1CNR2GRM2GRM3MAPT
SCHEMBL9203185 0.84 TDP1 (0.34) CNR1CNR2MAPTHTTNPSR1
SCHEMBL9195772 0.84 EPHX1 (0.38) CNR1CNR2MAPTHTTNPSR1
SCHEMBL9201208 0.83 — —
SCHEMBL9199475 0.83 KMT2A (0.36) MAPTHTTNPSR1
SCHEMBL9270055 0.82 MC5R (0.40) MAPTNPSR1KDM4E
SCHEMBL9196808 0.82 MAPT (0.33) MAPTHTTNPSR1
SCHEMBL9196838 0.82 TDP1 (0.37) CNR2MAPTHTTNPSR1KDM4E
SCHEMBL9202319 0.82 SLC1A5 (0.37) —
SCHEMBL9194700 0.82 KMT2A (0.38) MAPTHTTNPSR1KDM4E

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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