SCHEMBL26673752

SCHEMBL26673752

CCC1CN(C(c2ccc(F)cc2)c2ccc(F)cc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
ACHE P22303 4/20 0.42
OPRM1 P35372 4/20 0.39
OPRD1 P41143 3/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 3/20 0.38
IGF1R P08069 1/20 0.36
CYP2D6 P10635 4/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 3/20 0.36
CACNA2D1 P54289 2/20 0.36
CYP19A1 P11511 1/20 0.36
DGKA P23743 1/20 0.36
DGKZ Q13574 1/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 1/20 0.36
CACNA1B Q00975 3/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 2/20 0.36
ADORA3 P0DMS8 2/20 0.36

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
SCHEMBL16226979 0.87 HRH3 (0.43) HRH3ACHEOPRM1OPRD1SLC6A2
SCHEMBL14033906 0.87 HRH3 (0.43) HRH3ACHEOPRM1OPRD1SLC6A2
SCHEMBL27048103 0.86 HRH3 (0.43) HRH3ACHEOPRM1OPRD1SLC6A2
SCHEMBL27048362 0.86 HRH3 (0.43) HRH3ACHEOPRM1OPRD1SLC6A2
SCHEMBL14033908 0.86 CYP2D6 (0.54) HRH3OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL21831282 0.86 HRH3 (0.43) HRH3ACHEOPRM1OPRD1SLC6A2
Hydrochloric Acid SCHEMBL27130665 0.84 HRH3 (0.43) HRH3ACHEOPRM1OPRD1SLC6A2
Hydrochloric Acid SCHEMBL27033984 0.84 HRH3 (0.43) HRH3ACHEOPRM1OPRD1SLC6A2
Hydrochloric Acid SCHEMBL27033977 0.84 HRH3 (0.43) HRH3ACHEOPRM1OPRD1SLC6A2
SCHEMBL6874564 0.83 HRH3 (0.42) HRH3ACHEOPRM1OPRD1SLC6A2

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 1 patent. 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