SCHEMBL20324293

SCHEMBL20324293

Cc1ccccc1COC[C@H](C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 8/20 0.50
MAOA P21397 3/20 0.50
LMNA P02545 2/20 0.50
SCN1A P35498 2/20 0.50
SCN5A Q14524 2/20 0.50
SCN9A Q15858 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
NFKB1 P19838 2/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
KCNK3 O14649 1/20 0.50
CACNA1F O60840 1/20 0.50
KCNK2 O95069 1/20 0.50
GBA1 P04062 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR2B P41595 1/20 0.50
SCN7A Q01118 1/20 0.50

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
SCHEMBL28304028 1.00 SCN4A (0.50) SCN4AMAOALMNASCN1ASCN5A
SCHEMBL28304979 1.00 SCN4A (0.50) SCN4AMAOALMNASCN1ASCN5A
Hydrochloric Acid SCHEMBL21518136 0.98 LMNA (0.51) SCN4AMAOALMNASCN1ASCN5A
Hydrochloric Acid SCHEMBL21518135 0.98 LMNA (0.51) SCN4AMAOALMNASCN1ASCN5A
Hydrochloric Acid SCHEMBL21518168 0.98 LMNA (0.51) SCN4AMAOALMNASCN1ASCN5A
SCHEMBL8750527 0.85 TACR1 (0.42) SCN4AMAOALMNASCN1ASCN5A
SCHEMBL4981770 0.82 TACR1 (0.59) SCN4ACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10913016 0.81 LMNA (0.44) LMNACYP1A2TSHRSLC6A4TACR1
SCHEMBL13899599 0.80 KDM4E (0.40) SCN4ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL4315585 0.80 TAAR1 (0.50) LMNATSHRTAAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051326-A Nucleoside phosphate compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-04-21 CN disclosed
WO-2018113652-A1 NUCLEOSIDE PHOSPHATE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-06-28 WO disclosed