SCHEMBL20039938

SCHEMBL20039938

C[C@H]1CCC[C@H](c2ccc(Cl)cc2)O1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HTR3A P46098 1/20 0.38
ACHE P22303 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CHRNA7 P36544 1/20 0.37
MDM2 Q00987 1/20 0.35
GRIA4 P48058 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.34
PTAFR P25105 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL20039943 1.00 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HTR3AACHE
SCHEMBL16938591 0.89 SLC6A3 (0.56) SLC6A2SLC6A4SLC6A3HTR3ACHRNA7
SCHEMBL12066159 0.83 ACHE (0.35) SLC6A2SLC6A4SLC6A3ACHEGRIA4
SCHEMBL20039945 0.83 ACHE (0.35) SLC6A2SLC6A4SLC6A3ACHEGRIA4
SCHEMBL18215079 0.83 ACHE (0.35) SLC6A2SLC6A4SLC6A3ACHEGRIA4
SCHEMBL20039942 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL17690421 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL20039937 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL17150940 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL12065057 0.77 HTR2C (0.41) SLC6A2SLC6A4SLC6A3PSEN1

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-3091012-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CENTREXION THERAPEUTICS CORP (US) 2018-04-11 EP disclosed