SCHEMBL7533878

SCHEMBL7533878

CN(C)CCOC(=O)c1c2ccccc2nc2cc3ccccc3c(OCCN(C)C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 1/20 0.46
TACR3 P29371 3/20 0.45
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR1B P28222 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN3A Q9NY46 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL7532790 0.90 TACR3 (0.47) POLR1ATACR3KCNH2ALDH1A1KDM4E
SCHEMBL7535163 0.78 POLR1A (0.49) POLR1AALDH1A1KDM4EHTR1BMEN1
SCHEMBL7532016 0.78 TACR3 (0.36) POLR1ATACR3KCNH2ALDH1A1KDM4E
SCHEMBL8436963 0.75 POLR1A (0.38) POLR1ATACR3KCNH2ALDH1A1KDM4E
SCHEMBL10692306 0.72 HTR1B (0.60) ALDH1A1KDM4EHTR1BADRB2ADRB1
SCHEMBL4897475 0.71 TACR3 (0.68) TACR3KCNH2LMNACYP2D6
SCHEMBL7532784 0.69 HTR1B (0.48) POLR1AALDH1A1KDM4EHTR1BADRB2
SCHEMBL23722882 0.68 KDM4E (0.60) TACR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7533323 0.66 POLB (0.51) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11197446 0.66 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617288-B1 Long emission wavelength chemiluminescent compounds and their use in test assays NOVARTIS AG (CH) 2002-05-02 EP disclosed
US-5395752-A Detecting emission signals of conjugates of angular or linear four ring or three ring acridinium compounds CIBA CORNING DIAGNOSTICS CORP. (US) 1995-03-07 US disclosed
WO-1994021823-A1 LONG EMISSION WAVELENGTH CHEMILUMINESCENT COMPOUNDS AND THEIR USE IN TEST ASSAYS CIBA CORNING DIAGNOSTICS CORP. (US) 1994-09-29 WO disclosed
EP-0617288-A2 Long emission wavelength chemiluminescent compounds and their use in test assays CIBA-GEIGY AG (CH) 1994-09-28 EP disclosed