SCHEMBL27997282

SCHEMBL27997282

[CH2]CN(C)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 1/20 0.61
CHRM2 P08172 1/20 0.51
ACHE P22303 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
MCHR1 Q99705 2/20 0.46
CYP2D6 P10635 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL15800205 0.87 KDM4E (0.67) KDM4EALDH1A1CHRM2ACHENPC1
SCHEMBL28577080 0.87 KDM4E (0.60) KDM4EALDH1A1CHRM2ACHENPC1
SCHEMBL28572335 0.87 KDM4E (0.60) KDM4EALDH1A1CHRM2ACHENPC1
SCHEMBL28914380 0.86 KDM4E (0.59) KDM4EALDH1A1CHRM2ACHENPC1
SCHEMBL28896706 0.82 CHRM2 (0.60) KDM4EALDH1A1CHRM2ACHENPC1
SCHEMBL24274178 0.79 KDM4E (0.65) KDM4EALDH1A1NPC1RAB9AHRH3
SCHEMBL25634668 0.78 CHRM2 (0.62) KDM4EALDH1A1CHRM2ACHENPC1
SCHEMBL14174789 0.77 ALDH1A1 (0.67) KDM4EALDH1A1NPC1RAB9AHRH3
SCHEMBL24274180 0.77 KDM4E (0.71) KDM4EALDH1A1NPC1RAB9AHRH3
SCHEMBL30540074 0.77 KDM4E (0.60) KDM4EALDH1A1NPC1RAB9AHRH3

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-102958916-B Process for preparing a biphenyl-2-ylcarbamic acid THERAVANCE BIOPHARMA R & D IP LLC 2015-03-25 CN disclosed