SCHEMBL25328550

SCHEMBL25328550

CC1CN(C(=O)O)[C@@H](C)CN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.57
MAPK14 Q16539 2/20 0.42
DGKA P23743 1/20 0.41
DGKZ Q13574 1/20 0.41
OPRD1 P41143 3/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
GPX4 P36969 1/20 0.37

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
SCHEMBL21831371 1.00 SLC6A9 (0.57) SLC6A9MAPK14DGKADGKZOPRD1
SCHEMBL21831860 0.86 MAPK14 (0.48) SLC6A9MAPK14DGKADGKZOPRD1
SCHEMBL21831278 0.86 MAPK14 (0.48) SLC6A9MAPK14DGKADGKZOPRD1
SCHEMBL21831485 0.86 MAPK14 (0.48) SLC6A9MAPK14DGKADGKZOPRD1
SCHEMBL25328436 0.86 MAPK14 (0.48) SLC6A9MAPK14DGKADGKZOPRD1
SCHEMBL26925850 0.86 SLC6A9 (0.42) SLC6A9MAPK14OPRD1KDM4ECYP1A2
SCHEMBL26927722 0.85 SLC6A9 (0.49) SLC6A9DGKADGKZOPRD1KDM4E
SCHEMBL21831477 0.83 OPRD1 (0.41) SLC6A9MAPK14OPRD1KDM4ECYP1A2
SCHEMBL30554408 0.82 SLC6A9 (0.48) SLC6A9MAPK14DGKADGKZ
SCHEMBL26944522 0.82 SLC6A9 (0.48) SLC6A9MAPK14DGKADGKZ

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-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 EP disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed