SCHEMBL27664992

SCHEMBL27664992

CC1CN(C(F)c2ccccc2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
SLC6A4 P31645 6/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 5/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL4146000 0.83 MEN1 (0.58) HRH3MEN1KMT2ACYP2D6SLC6A3
SCHEMBL2537196 0.83 MEN1 (0.58) HRH3MEN1KMT2ACYP2D6SLC6A3
SCHEMBL2315253 0.83 MEN1 (0.58) HRH3MEN1KMT2ACYP2D6SLC6A3
SCHEMBL13724342 0.82 CYP2D6 (0.56) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL4096152 0.82 CYP2D6 (0.56) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL4099767 0.82 CYP2D6 (0.56) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL3662445 0.81 MEN1 (0.42) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL13749435 0.80 HRH3 (0.47) HRH3MEN1KMT2ASLC6A4CYP2D6
SCHEMBL4094666 0.80 HRH3 (0.42) HRH3MEN1KMT2ASIGMAR1SLC6A4
SCHEMBL4099833 0.80 HRH3 (0.42) HRH3MEN1KMT2ASIGMAR1SLC6A4

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
CN-1962645-A N-p-Fluorobenzyl-N-phenoxylacetylpiperazidine derivative preparation method LAIYANG AGRICULTURAL COLLEGE (CN) 2007-05-16 CN disclosed