SCHEMBL27618554

SCHEMBL27618554

CCCCCCN(C(C)=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
GNAO1 P09471 12/20 0.44
GNAI3 P08754 11/20 0.44
GNAI1 P63096 11/20 0.44
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 0.36
EPHX1 P07099 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL28199273 0.83 SIGMAR1 (0.36) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL28509231 0.82 SIGMAR1 (0.40) SIGMAR1GNAO1GNAI3GNAI1FAAH
SCHEMBL5731593 0.80 SIGMAR1 (0.49) SIGMAR1GNAO1GNAI3GNAI1FAAH
SCHEMBL28856183 0.80 SIGMAR1 (0.34) SIGMAR1
SCHEMBL5521576 0.77 MEN1 (0.41) SIGMAR1
SCHEMBL19040775 0.76 GNAO1 (0.43) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL28199286 0.74 POLB (0.41) SIGMAR1
SCHEMBL6066343 0.73 GNAI3 (0.38) SIGMAR1GNAO1GNAI3GNAI1FAAH
SCHEMBL2249240 0.72 SIGMAR1 (0.42) SIGMAR1GNAO1GNAI3GNAI1
SCHEMBL5369797 0.70 TACR1 (0.55) SIGMAR1GNAO1GNAI3GNAI1

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
CN-100579957-C Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-01-13 CN disclosed
CN-1642906-A Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-07-20 CN disclosed