SCHEMBL28154402

SCHEMBL28154402

C[C](C)CN1CCC(CCCCN)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CHRM1 P11229 3/20 0.43
CHRM2 P08172 3/20 0.37
GNAO1 P09471 2/20 0.35
GNAI3 P08754 1/20 0.35
GNAI1 P63096 1/20 0.35
RAD52 P43351 1/20 0.33
CHRM3 P20309 2/20 0.32
ACHE P22303 1/20 0.32
SLC18A3 Q16572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NCF1 P14598 1/20 0.31
HRH1 P35367 1/20 0.31
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL28224258 0.95 CHRM1 (0.39) SIGMAR1CHRM1CHRM2GNAO1GNAI3
SCHEMBL28168619 0.87 NCF1 (0.34) CHRM1CHRM2GNAO1GNAI3GNAI1
SCHEMBL28177627 0.79 ACHE (0.34) SIGMAR1ACHEALDH1A1
SCHEMBL27713963 0.79 NCF1 (0.52) GNAO1GNAI3GNAI1ALDH1A1NCF1
SCHEMBL3865449 0.77 ACHE (0.35) CHRM1CHRM2GNAO1CHRM3ACHE
SCHEMBL5031515 0.76 CHRM1 (0.47) SIGMAR1CHRM1CHRM2GNAO1GNAI3
SCHEMBL27597839 0.76 CACNA1I (0.31) GNAO1ACHE
SCHEMBL5034030 0.75 CHRM1 (0.49) SIGMAR1CHRM1CHRM2GNAO1GNAI3
SCHEMBL3476951 0.75 NCF1 (0.58) SIGMAR1CHRM1CHRM2GNAO1GNAI3
SCHEMBL27742769 0.75 SIGMAR1 (0.38) SIGMAR1

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-104684906-B Nampt inhibitor 艾伯维公司 2017-06-09 CN disclosed