SCHEMBL9508374

SCHEMBL9508374

COc1cc(/C=C/C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(N)=O)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.50
ACHE P22303 3/20 0.50
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
METAP2 P50579 2/20 0.45
ACE P12821 1/20 0.45
KMT2A Q03164 1/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
APP P05067 2/20 0.44

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
SCHEMBL9508378 1.00 BCHE (0.50) BCHEACHEOPRM1OPRD1OPRK1
SCHEMBL9512092 0.94 STAT3 (0.48) BCHEACHE
SCHEMBL5489858 0.89 ACE (0.51) OPRM1OPRD1ACE
SCHEMBL5489849 0.89 ACE (0.51) OPRM1OPRD1ACE
SCHEMBL9509798 0.85 ACE (0.48) BCHEACHEOPRM1OPRD1ACE
SCHEMBL9509803 0.85 ACE (0.48) BCHEACHEOPRM1OPRD1ACE
SCHEMBL9551637 0.82 TSHR (0.55) OPRM1ALDH1A1HPGDACEKMT2A
SCHEMBL9551636 0.82 TSHR (0.55) OPRM1ALDH1A1HPGDACEKMT2A
SCHEMBL9509727 0.80 STAT3 (0.54)
SCHEMBL9509721 0.80 STAT3 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316218-B1 L-PROLINE DERIVATIVES, THEIR PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF EKITA Investments N.V. (NA) 1993-09-15 EP claimed
US-5212158-A Nootropic agents INORGAN SA RECHERCHE & DEVELOPPEMENT PHARMACEUTIQUES, CAS (CH) 1993-05-18 US claimed
EP-0316218-B1 L-PROLINE DERIVATIVES, THEIR PREPARATION AND BIOLOGICAL APPLICATIONS THEREOF EKITA Investments N.V. (NA) 1993-09-15 EP disclosed
US-5212158-A Nootropic agents INORGAN SA RECHERCHE & DEVELOPPEMENT PHARMACEUTIQUES, CAS (CH) 1993-05-18 US disclosed
EP-0316218-A1 L-proline derivatives, their preparation and biological applications thereof EKITA Investments N.V. (NA) 1989-05-17 EP disclosed