SCHEMBL8066737

SCHEMBL8066737

O=C(NCCc1c[nH]cn1)[C@@H]1CC(O)CN1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.34
DPP4 P27487 1/20 0.34
MC4R P32245 1/20 0.32
SMYD3 Q9H7B4 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL3208254 0.79 PRCP (0.48)
SCHEMBL8057395 0.79 PRCP (0.48)
SCHEMBL19051493 0.78 PRCP (0.44)
SCHEMBL30978542 0.76 CTSC (0.45) CTSCDPP4SMYD3
SCHEMBL28126427 0.76 CTSC (0.45) CTSCDPP4SMYD3
SCHEMBL18381195 0.75 SMN1; SMN2 (0.41) POLB
SCHEMBL2821381 0.75 SMN1; SMN2 (0.41) POLB
SCHEMBL2822143 0.74 ALDH1A1 (0.50) POLB
SCHEMBL17473831 0.73 MMP9 (0.35)
SCHEMBL21820172 0.73 CNR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726895-B1 PSEUDODIPEPTIDE PRODUCT HAVING AN IMIDAZOLE GROUPING AND APPLICATIONS EXSYMOL SA (MC) 2000-07-05 EP claimed
CN-1056608-C Imidazole group-containing pseudodipeptide products and uses thereof EXSYMOL SA MONEGASQUE (MC) 2000-09-20 CN disclosed
EP-0726895-B1 PSEUDODIPEPTIDE PRODUCT HAVING AN IMIDAZOLE GROUPING AND APPLICATIONS EXSYMOL SA (MC) 2000-07-05 EP disclosed
US-6046340-A COUPLING N-PROTECTED AND O-ACTIVATED ALPHA AMINO ACID WITH HISTAMINE OR METHYL-SUBSTITUTED HISTAMINE; FOR USE IN THERAPEUTIC, COSMETIC AND FOOD FIELDS EXSYMOL SOCIETE ANONYME MONEGASQUE (MC) 2000-04-04 US disclosed
CN-1136808-A Imidazole group-containing pseudodipeptide products and uses thereof EXSYMOL SA (MC) 1996-11-27 CN disclosed
EP-0726895-A1 PSEUDODIPEPTIDE PRODUCT HAVING AN IMIDAZOLE GROUPING AND APPLICATIONS EXSYMOL S.A.M. (MC) 1996-08-21 EP disclosed
WO-1995012581-A1 PSEUDODIPEPTIDE PRODUCT HAVING AN IMIDAZOLE GROUPING AND APPLICATIONS EXSYMOL SOCIETE ANONYME MONEGASQUE (MC) 1995-05-11 WO disclosed