SCHEMBL25328640

SCHEMBL25328640

CC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
HRH3 Q9Y5N1 1/20 0.39
DGKA P23743 3/20 0.36
DGKZ Q13574 3/20 0.36
DPP8 Q6V1X1 1/20 0.36
OPRD1 P41143 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL7427589 1.00 SIGMAR1 (0.54) SIGMAR1HRH3DGKADGKZDPP8
SCHEMBL21831659 1.00 SIGMAR1 (0.54) SIGMAR1HRH3DGKADGKZDPP8
SCHEMBL21831126 1.00 SIGMAR1 (0.54) SIGMAR1HRH3DGKADGKZDPP8
SCHEMBL7427594 1.00 SIGMAR1 (0.54) SIGMAR1HRH3DGKADGKZDPP8
SCHEMBL25327760 1.00 SIGMAR1 (0.54) SIGMAR1HRH3DGKADGKZDPP8
SCHEMBL7430109 1.00 SIGMAR1 (0.54) SIGMAR1HRH3DGKADGKZDPP8
Hydrochloric Acid SCHEMBL21831397 0.98 SIGMAR1 (0.53) SIGMAR1HRH3DGKADGKZDPP8
SCHEMBL21831852 0.89 DGKA (0.46) SIGMAR1HRH3DGKADGKZOPRD1
SCHEMBL6495242 0.87 SIGMAR1 (0.54) SIGMAR1HRH3DGKADGKZ
SCHEMBL26946526 0.87 SIGMAR1 (0.45) SIGMAR1HRH3DGKADGKZOPRD1

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