SCHEMBL20143210

SCHEMBL20143210

CCCCN1CCCC[C@H]1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
KCNH2 Q12809 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
NR1I2 O75469 1/20 0.49
KCNK3 O14649 1/20 0.44
LMNA P02545 1/20 0.44
BCHE P06276 1/20 0.43
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
S1PR5 Q9H228 3/20 0.43
S1PR4 O95977 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
GBA2 Q9HCG7 2/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRD1 P41143 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
SCHEMBL9044282 1.00 SMN1; SMN2 (0.53) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
SCHEMBL3231146 0.95 SMN1; SMN2 (0.49) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
SCHEMBL7278054 0.95 NR1I2 (0.53) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
SCHEMBL15664773 0.95 NR1I2 (0.53) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
SCHEMBL27522848 0.94 BCHE (0.51) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
Hydrochloric Acid SCHEMBL27415879 0.93 NR1I2 (0.52) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
Acetic Acid SCHEMBL27390252 0.90 NR1I2 (0.50) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
SCHEMBL8958766 0.90 BCHE (0.54) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
SCHEMBL1825154 0.90 BCHE (0.54) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB
SCHEMBL3969870 0.90 LMNA (0.52) SMN1; SMN2CYP3A4CYP2D6KCNH2POLB

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-9968589-B2 Method of treating disease by auricular anesthesia of cranial nerves CREWS THOMAS M (US) 2018-05-15 US disclosed