SCHEMBL7273944

SCHEMBL7273944

O=C(N[C@H](Cc1ccccc1)C(=O)Oc1cc(Cl)c(Cl)cc1Cl)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.54
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
TYR P14679 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
CTRB1 P17538 2/20 0.50
CAPN1 P07384 2/20 0.50

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
SCHEMBL11822319 1.00 TACR1 (0.54) TACR1CTSLCTSBCTSSCTSK
SCHEMBL5689816 0.96 CTSL (0.53) TACR1CTSLCTSBCTSSCTSK
SCHEMBL11796386 0.96 CTSL (0.53) TACR1CTSLCTSBCTSSCTSK
SCHEMBL11658723 0.93 ITGB3 (0.53) CTSSCTSKALDH1A1KDM4EHPGD
SCHEMBL7465441 0.89 NOS2 (0.51) ALDH1A1ALOX15
SCHEMBL9320196 0.87 KDM4E (0.48) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL11517121 0.87 CTSK (0.63) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL11686578 0.85 EPHX2 (0.58) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL11694974 0.85 NMBR (0.64) TACR1HTT
SCHEMBL10974305 0.83 KDM4E (0.47) CTSLCTSBCTSSCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185390-B1 TRIPEPTIDYL-ARGININALDEHYDE, PROCESS FOR ITS PREPARATION AND MEDICAMENTS THEREOF, AS WELL AS N-(MONOALKYL) AND N,N-DI-(ALKYL)-XXX-L-PROLINE DIPEPTIDE RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-10-02 EP disclosed
US-4703036-A ANTICOAGULANTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-10-27 US disclosed
EP-0185390-A2 Tripeptidyl-argininaldehyde, process for its preparation and medicaments thereof, as well as N-(monoalkyl) and N,N-di-(alkyl)-Xxx-L-proline dipeptide RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1986-06-25 EP disclosed