SCHEMBL3496582

SCHEMBL3496582

CCN(C)Cc1coc(-c2ccc(-n3cnc4ccccc43)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.46
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
FGFR1 P11362 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTK2B Q14289 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
PPP1CA P62136 1/20 0.42
PDE2A O00408 1/20 0.39
PDE3B Q13370 1/20 0.39

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
SCHEMBL3497006 0.91 HTT (0.47) HTTMAPTKMT2ANPSR1FGFR1
SCHEMBL3497799 0.90 HTT (0.49) HTTMAPTKMT2ANPSR1FGFR1
SCHEMBL3497153 0.83 CYP11B1 (0.53) HTTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL3497016 0.83 HTT (0.49) HTTMAPTKMT2ANPSR1FGFR1
SCHEMBL3496259 0.83 FGFR1 (0.51) HTTMAPTKMT2ANPSR1FGFR1
SCHEMBL3497742 0.81 ALDH1A1 (0.52) HTTMAPTKMT2ANPSR1KDM4E
SCHEMBL3498104 0.80 DRD2 (0.52) HTTMAPTKMT2ANPSR1FGFR1
SCHEMBL3496688 0.78 DRD2 (0.52) HTTMAPTKMT2ANPSR1FGFR1
SCHEMBL3497831 0.77 HRH3 (0.53) HTTMAPTKMT2ANPSR1FGFR1
SCHEMBL3496266 0.77 HTT (0.46) HTTMAPTKMT2ANPSR1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US claimed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP claimed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed