SCHEMBL8910044

SCHEMBL8910044

CC(C)Oc1ccccc1OC[C@@H](C)N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
SCN4A P35499 5/20 0.47
LMNA P02545 3/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
KCNK3 O14649 1/20 0.47
CACNA1F O60840 1/20 0.47
KCNK2 O95069 1/20 0.47
GBA1 P04062 1/20 0.47
MAOA P21397 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL7415697 0.82 LMNA (0.58) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL8684485 0.82 LMNA (0.58) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL10639362 0.82 LMNA (0.58) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL10263938 0.81 LMNA (0.55) NPSR1LMNACYP1A2ALDH1A1KDM4E
SCHEMBL29641315 0.78 SCN4A (0.66) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL18295381 0.78 SCN4A (0.66) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL8607298 0.78 SCN4A (0.66) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL2069775 0.78 ALDH1A1 (0.57) NPSR1LMNACYP1A2CYP2C9ALDH1A1
SCHEMBL29591819 0.78 ALDH1A1 (0.57) NPSR1LMNACYP1A2CYP2C9ALDH1A1
SCHEMBL12129021 0.78 ALDH1A1 (0.52) NPSR1LMNACYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed