SCHEMBL14499009

SCHEMBL14499009

Cc1cccc(C)c1OCC1CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 10/20 0.43
LMNA P02545 2/20 0.43
SCN1A P35498 2/20 0.43
SCN5A Q14524 2/20 0.43
SCN9A Q15858 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
NFKB1 P19838 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
KCNK3 O14649 1/20 0.43
CACNA1F O60840 1/20 0.43
KCNK2 O95069 1/20 0.43
GBA1 P04062 1/20 0.43
MAOA P21397 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
SCN7A Q01118 1/20 0.43

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
SCHEMBL17830468 0.81 CHRNB2 (0.58)
SCHEMBL10564592 0.80 LTA4H (0.55)
SCHEMBL9682093 0.79 SSTR4 (0.45) SCN4ALMNASCN1ASCN5ASCN9A
Hydrochloric Acid SCHEMBL10567449 0.79 LTA4H (0.54)
SCHEMBL3671560 0.74 ALDH1A1 (0.65) SCN4ALMNASCN1ASCN5ASCN9A
SCHEMBL27504233 0.72 EED (0.47) SLC6A4
SCHEMBL27487413 0.72 EED (0.47) SLC6A4
Hydrochloric Acid SCHEMBL7955369 0.71 EED (0.46) SLC6A4
Hydrochloric Acid SCHEMBL7946334 0.71 EED (0.46) SLC6A4
SCHEMBL22696387 0.69 SCN4A (0.56) 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
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed