SCHEMBL11028017

SCHEMBL11028017

CC(C)(C)C(CC(c1ccccc1)c1ccccn1)=NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.48
▸ SLC6A4 P31645 6/20 0.48
▸ CHRM2 P08172 5/20 0.48
▸ SCN1A P35498 3/20 0.48
▸ SCN2A Q99250 3/20 0.48
▸ SCN3A Q9NY46 3/20 0.48
▸ SLC6A3 Q01959 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TSHR P16473 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CHRM1 P11229 4/20 0.40
▸ HRH1 P35367 4/20 0.40
▸ KCNH2 Q12809 4/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.40
▸ ADRA2B P18089 3/20 0.40

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
SCHEMBL11028014 1.00 SLC6A2 (0.48) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL11029028 0.79 ALDH1A1 (0.52) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL28280064 0.73 SLC6A2 (0.57) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL1131686 0.73 ALDH1A1 (0.55) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL362880 0.72 GPBAR1 (0.45) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL1389888 0.72 GPBAR1 (0.45) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL1389890 0.72 GPBAR1 (0.45) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL11028250 0.71 LMNA (0.56) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL290075 0.71 SLC6A2 (0.67) SLC6A2SLC6A4CHRM2SCN1ASCN2A
SCHEMBL17071880 0.71 SLC6A2 (0.67) SLC6A2SLC6A4CHRM2SCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4477453-A ANTISPASMODIC, ANTIHISTAMINE UNIVABLOT (FR) 1984-10-16 — — US disclosed
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