SCHEMBL9325826

SCHEMBL9325826

COc1cc(C)cc(OCC(C)N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
SCN4A P35499 3/20 0.42
LMNA P02545 2/20 0.42
SCN1A P35498 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
KCNK3 O14649 1/20 0.42
CACNA1F O60840 1/20 0.42
KCNK2 O95069 1/20 0.42
GBA1 P04062 1/20 0.42
MAOA P21397 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL8684317 0.92 ALDH1A1 (0.48) SLC6A4ALDH1A1
SCHEMBL8684319 0.92 ALDH1A1 (0.48) SLC6A4ALDH1A1
SCHEMBL1734411 0.88 SCN4A (0.47) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL1735307 0.88 SCN4A (0.47) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL1735292 0.88 SCN4A (0.47) SCN4ALMNASCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL9122119 0.86 SCN5A (0.48) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL22379972 0.84 SCN4A (0.48) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL13343217 0.80 SCN4A (0.44) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL8683292 0.78 TAAR1 (0.61) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL8683297 0.78 TAAR1 (0.61) SCN4ALMNASCN1ASCN5ASCN9A

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
EP-0273328-B1 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN CO (JP) 1994-03-09 EP disclosed
US-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 US disclosed
EP-0273328-A2 Triazine derivatives and herbicides containing said derivatives IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-07-06 EP disclosed