SCHEMBL8770809

SCHEMBL8770809

[CH2]CCCCCN(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.40
APP P05067 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
CHKA P35790 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5541703 0.89 SIGMAR1 (0.44) SIGMAR1TAAR1
SCHEMBL5541551 0.87 SIGMAR1 (0.41) SIGMAR1TAAR1
SCHEMBL5536973 0.81 CA12 (0.41) SIGMAR1TAAR1MAPT
SCHEMBL14149523 0.80 MAPT (0.53) LSSAPPTAAR1PTGESALOX5
SCHEMBL17037834 0.79 SIGMAR1 (0.52) SIGMAR1TAAR1
SCHEMBL13645984 0.77 SIGMAR1 (0.48) SIGMAR1TAAR1
SCHEMBL73319 0.73 CA12 (0.44) SIGMAR1TAAR1HTR2A
SCHEMBL11145951 0.72 CA12 (0.47) SIGMAR1TAAR1MAPT
SCHEMBL8770783 0.72 MTNR1A (0.45)
SCHEMBL23504507 0.72 SIGMAR1 (0.46) SIGMAR1TAAR1

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
EP-0797579-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 1997-10-01 EP disclosed
WO-1996018633-A1 ERYTHROMYCIN A 9-0-OXIME DERIVATIVES ENDOWED WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 1996-06-20 WO disclosed