SCHEMBL9411352

SCHEMBL9411352

CC(=O)N1CCC(CCC(=O)c2ccc(F)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 8/20 0.56
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
DPP4 P27487 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
OPRL1 P41146 3/20 0.47
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL15785129 0.87 ACKR3 (0.52) ACKR3HTR2AHTR2CDPP4DPP7
SCHEMBL9247297 0.82 KMT2A (0.52) HTR2AHTR2CKCNH2KMT2A
SCHEMBL9411466 0.79 ACKR3 (0.47) ACKR3HTR2AHTR2CKCNH2
SCHEMBL9411469 0.79 ACHE (0.65)
Hydrochloric Acid SCHEMBL9411652 0.78 ACKR3 (0.46) ACKR3HTR2AHTR2CKCNH2
SCHEMBL13735867 0.78 HDAC1 (0.51) DPP4DPP7OPRL1KMT2A
SCHEMBL1838212 0.78 MEN1 (0.61) ACKR3DPP4DPP7KMT2A
SCHEMBL23344410 0.76 PDK2 (0.43) ACKR3DPP4DPP7OPRL1
SCHEMBL9411376 0.75 HPGD (0.48) KMT2A
SCHEMBL9256634 0.74 KMT2A (0.54) KCNH2KMT2A

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-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 EP disclosed