SCHEMBL8958513

SCHEMBL8958513

Cn1c(=O)oc2cc(CCN3CCC(Cc4ccc(F)cc4)CC3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
HTR1A P08908 3/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GRIN2B Q13224 3/20 0.48
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
CCR3 P51677 1/20 0.45

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
SCHEMBL8870163 0.90 SIGMAR1 (0.64) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL8871026 0.83 SIGMAR1 (0.66) SIGMAR1HTR1AGRIN2BCCR3
SCHEMBL10982732 0.83 HTR1A (0.66) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL5655532 0.79 HTR1A (0.56) HTR1ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL8109942 0.79 GRIN1 (0.74) HTR1ASLC6A2SLC6A3MEN1KMT2A
SCHEMBL8870940 0.79 SIGMAR1 (0.82) SIGMAR1HTR1A
SCHEMBL8870202 0.78 SIGMAR1 (0.64) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL8948109 0.77 HTR2A (0.61) HTR1A
SCHEMBL10392906 0.77 HTR1A (0.62) SIGMAR1HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL8544949 0.73 GRIN2B (0.55) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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
US-5534511-A AFFINITY FOR SIGMA RECEPTORS, ANTIINFLAMMATORY, TREATMENT OF ARTHRITIS ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed