SCHEMBL9053577

SCHEMBL9053577

CC(N)COc1cccc(OCC(C)N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 3/20 0.57
LMNA P02545 2/20 0.57
SCN1A P35498 2/20 0.57
SCN5A Q14524 2/20 0.57
SCN9A Q15858 2/20 0.57
TSHR P16473 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
NFKB1 P19838 1/20 0.57
KCNK3 O14649 1/20 0.57
CACNA1F O60840 1/20 0.57
KCNK2 O95069 1/20 0.57
GBA1 P04062 1/20 0.57
MAOA P21397 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR2B P41595 1/20 0.57
SCN7A Q01118 1/20 0.57

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
SCHEMBL8683297 0.92 TAAR1 (0.61) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL8683292 0.92 TAAR1 (0.61) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL9326248 0.92 CYP3A4 (0.61) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL9325836 0.91 KDM4E (0.49) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL9124730 0.88 ADRB2 (0.56) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL18295355 0.88 ADRB2 (0.56) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL18295358 0.88 ADRB2 (0.56) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL9324034 0.88 SCN4A (0.46) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL16455001 0.87 SCN4A (0.49) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL3575374 0.87 SCN4A (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8143644-A None JP disclosed
JP-H08143644-A POLYEPOXIDE CURABLE COMPOSITION FUJI KASEI KOGYO KK 1996-06-04 JP disclosed