SCHEMBL6982707

SCHEMBL6982707

O=C(NCC1CCN(CC2COc3ccc(F)c(F)c3O2)CC1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
CACNA1I Q9P0X4 1/20 0.47
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTR4 Q13639 1/20 0.39

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
SCHEMBL6974596 0.91 ADRA2A (0.56) ADRA2AADRA2BADRA2CCACNA1IADRA1D
SCHEMBL6978070 0.86 ADRA2A (0.56) ADRA2AADRA2BADRA2CCACNA1IADRA1D
SCHEMBL6980892 0.85 ADRA2A (0.56) ADRA2AADRA2BADRA2CCACNA1IADRA1D
SCHEMBL8382404 0.85 ADRA2A (0.56) ADRA2AADRA2BADRA2CCACNA1IADRA1D
SCHEMBL6978133 0.85 ADRA2A (0.58) ADRA2AADRA2BADRA2CCACNA1IADRA1D
SCHEMBL8382840 0.85 ADRA2A (0.58) ADRA2AADRA2BADRA2CCACNA1IADRA1D
SCHEMBL8385794 0.85 ADRA2A (0.53) ADRA2AADRA2BADRA2CCACNA1IADRA1D
SCHEMBL6977515 0.85 ADRA2A (0.53) ADRA2AADRA2BADRA2CCACNA1IADRA1D
SCHEMBL6983471 0.85 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8382941 0.84 ADRA1D (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP claimed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed