SCHEMBL11399774

SCHEMBL11399774

CCN(CC)C(C)NC(=O)c1cc([N+](=O)[O-])cc(C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
DRD2 P14416 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 5/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL11390266 0.81 TAS1R3 (0.38) HTTLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL11402318 0.80 TAS1R3 (0.43) HTTLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL11399777 0.77 LMNA (0.48) DRD2LMNAALDH1A1RAB9AKDM4E
SCHEMBL8527632 0.77 HTT (0.42) HTTDRD2SMN1; SMN2ALDH1A1PKM
SCHEMBL11396949 0.76 ALDH1A1 (0.38) HTTLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL11399056 0.76 ALDH1A1 (0.38) HTTLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL25514824 0.73 ALDH1A1 (0.44) HTTLMNASMN1; SMN2ALDH1A1PKM
SCHEMBL7053647 0.73 PKM (0.51) HTTTP53ALDH1A1PKMMAPT
SCHEMBL11800671 0.72 SMN1; SMN2 (0.45) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10476844 0.72 PDE5A (0.45) LMNATP53ALDH1A1MAPK1

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
US-4301159-A FOR GASTRIC DISORDERS, ANTIEMETICS SHIONOGI & CO., LTD. (JP) 1981-11-17 US disclosed