SCHEMBL3662445

SCHEMBL3662445

CC1CN(C(I)c2ccccc2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SIGMAR1 Q99720 1/20 0.38
SLC6A4 P31645 5/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 4/20 0.36
OPRD1 P41143 3/20 0.35
OPRL1 P41146 2/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL2315253 0.83 MEN1 (0.58) MEN1KMT2AHRH3CYP2D6OPRD1
SCHEMBL4146000 0.83 MEN1 (0.58) MEN1KMT2AHRH3CYP2D6OPRD1
SCHEMBL2537196 0.83 MEN1 (0.58) MEN1KMT2AHRH3CYP2D6OPRD1
SCHEMBL4099767 0.82 CYP2D6 (0.56) MEN1KMT2AHRH3SIGMAR1SLC6A4
SCHEMBL13724342 0.82 CYP2D6 (0.56) MEN1KMT2AHRH3SIGMAR1SLC6A4
SCHEMBL4096152 0.82 CYP2D6 (0.56) MEN1KMT2AHRH3SIGMAR1SLC6A4
SCHEMBL3990049 0.82 CACNA2D1 (0.39) MEN1KMT2ASLC6A4CYP2D6SLC6A2
SCHEMBL27664992 0.81 HRH3 (0.44) MEN1KMT2AHRH3SIGMAR1SLC6A4
SCHEMBL4094666 0.77 HRH3 (0.42) MEN1KMT2AHRH3SIGMAR1SLC6A4
SCHEMBL13749435 0.77 HRH3 (0.47) MEN1KMT2AHRH3SLC6A4CYP2D6

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-2231601-A2 GLYCINE TRANSPORTER-1 INHIBITORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075857-A2 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2009-06-18 WO disclosed