SCHEMBL14182015

SCHEMBL14182015

CCCCNc1cccc[n+]1[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
BCHE P06276 2/20 0.37
TRPC3 Q13507 1/20 0.37
TRPC4 Q9UBN4 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
TLR8 Q9NR97 2/20 0.36
HTT P42858 4/20 0.36
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACP1 P24666 1/20 0.35
UTS2R Q9UKP6 3/20 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
SCHEMBL1441268 0.95 KCNH3 (0.41) NPSR1ALDH1A1KCNH3LMNAMAPT
SCHEMBL852975 0.82 POLB (0.40) ALDH1A1KDM4EHTTTSHRKCNH3
SCHEMBL4638849 0.82 LMNA (0.34) ALDH1A1KDM4EHTTLMNAMAPT
Bromide SCHEMBL4638146 0.81 LMNA (0.33) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL3217738 0.81 MAPT (0.42) ALDH1A1KDM4EHTTTSHRKCNH3
SCHEMBL6177680 0.79 KCNH3 (0.42) ALDH1A1KDM4EHTTTSHRKCNH3
SCHEMBL6951347 0.78 CA12 (0.38) L3MBTL1ALDH1A1KDM4EHTTTSHR
SCHEMBL6860751 0.77 SLC2A1 (0.47) ALDH1A1KDM4EHTTLMNAMAPK1
SCHEMBL11868462 0.76 F2R (0.35) NPSR1L3MBTL1ALDH1A1KDM4EAPAF1
SCHEMBL6963178 0.75 KMT2A (0.34) L3MBTL1ALDH1A1KDM4EHTTCYP1A2

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-7368566-B2 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION (US) 2008-05-06 US disclosed