SCHEMBL7327386

SCHEMBL7327386

O=C(NC(Cc1ccccc1)C(=O)CBr)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.62
CTSL P07711 3/20 0.61
CTSB P07858 2/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.60
CTRB1 P17538 2/20 0.58
KDM1A O60341 2/20 0.54
MAOA P21397 1/20 0.54
KDM1B Q8NB78 1/20 0.54
RCOR1 Q9UKL0 1/20 0.54

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
SCHEMBL6330507 1.00 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6195776 0.87 CASP1 (0.69)
SCHEMBL7416573 0.87 CASP1 (0.69)
SCHEMBL28356104 0.87 TACR1 (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7318249 0.86 ITGB3 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL7327056 0.86 ITGB3 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL3044116 0.86 TACR1 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL13998432 0.86 CTSL (0.64) TACR1CTSLCTSBCTSSCTSK
SCHEMBL6439753 0.86 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK
SCHEMBL4980616 0.86 TACR1 (0.62) TACR1CTSLCTSBCTSSCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047400-A Treatment of infection; antitumor agents ADIR ET CIE (FR) 1991-09-10 US disclosed
EP-0292800-A2 Amino acid derivatives MERCK PATENT GmbH (DE) 1988-11-30 EP disclosed
EP-0129163-B1 ARPHAMENINE AND ITS RELATED COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-09-16 EP disclosed
EP-0129163-A1 Arphamenine and its related compounds, a process for their preparation and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1984-12-27 EP disclosed