SCHEMBL975271

SCHEMBL975271

CCC(C)CNC(=O)CN1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.59
CHRM3 P20309 2/20 0.59
SIGMAR1 Q99720 7/20 0.55
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
HTR4 Q13639 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
SCHEMBL1023592 0.94 CHRM5 (0.57) CHRM5CHRM3SIGMAR1ALDH1A1MEN1
SCHEMBL978988 0.82 ALDH1A1 (0.47) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL29300364 0.81 SIGMAR1 (0.56) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5481121 0.80 CHRM5 (0.58) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4711520 0.80 SIGMAR1 (0.65) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5481706 0.79 CHRM5 (0.56) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL10698614 0.78 SIGMAR1 (0.63) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL14369164 0.78 SIGMAR1 (0.63) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL1905216 0.77 SIGMAR1 (0.71) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL12676423 0.76 CHRM5 (0.53) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO claimed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO claimed
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed