SCHEMBL9813071

SCHEMBL9813071

Fc1ccc(C(c2ccc(F)cc2)N2[CH]CNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
CYP2D6 P10635 3/20 0.39
CYP19A1 P11511 2/20 0.39
ACHE P22303 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
P4HB P07237 1/20 0.36
KCNH2 Q12809 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL2794665 0.82 MEN1 (0.56) SIGMAR1CYP2D6MEN1KMT2ASLC6A2
SCHEMBL336219 0.74 CYP2D6 (0.67) SIGMAR1CYP2D6CYP19A1ACHEMEN1
SCHEMBL4094720 0.69 HTR7 (0.39) SIGMAR1SLC6A2SLC6A4SLC6A3HTR7
SCHEMBL16225886 0.69 MEN1 (0.79) CYP2D6CYP19A1MEN1KMT2AOPRM1
SCHEMBL1138318 0.69 MEN1 (0.79) CYP2D6CYP19A1MEN1KMT2AOPRM1
SCHEMBL7438580 0.69 MEN1 (0.44) SIGMAR1CYP2D6MEN1KMT2ASLC6A2
SCHEMBL7427630 0.69 CYP2D6 (0.59) SIGMAR1CYP2D6CYP19A1ACHEMEN1
SCHEMBL1138320 0.69 MEN1 (0.79) CYP2D6CYP19A1MEN1KMT2AOPRM1
SCHEMBL8182035 0.68 CYP2D6 (0.57) CYP2D6CYP19A1ACHEMEN1KMT2A
SCHEMBL21831877 0.67 SIGMAR1 (0.39) SIGMAR1CYP2D6CYP19A1ACHESLC6A2

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-0266549-B1 CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-06-19 EP claimed