SCHEMBL1764441

SCHEMBL1764441

Cc1ccc(C2CCCCN2C2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
CYP19A1 P11511 2/20 0.44
CHRNA7 P36544 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC18A3 Q16572 1/20 0.40
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL10538826 0.88 HRH3 (0.52) HRH3CYP19A1CHRNA7MAPK1ALDH1A1
SCHEMBL10720846 0.85 HRH3 (0.73) HRH3CYP19A1CHRNA7MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL10718810 0.84 HRH3 (0.71) HRH3CYP19A1CHRNA7MAPK1ALDH1A1
SCHEMBL18751629 0.82 SLC18A3 (0.51) HRH3CHRNA7ALDH1A1SLC18A3CYP2D6
SCHEMBL1989282 0.82 SLC18A3 (0.51) HRH3CHRNA7ALDH1A1SLC18A3CYP2D6
Hydrochloric Acid SCHEMBL28558595 0.81 SLC18A3 (0.50) HRH3CHRNA7SLC18A3CYP2D6CYP2C19
SCHEMBL9153287 0.80 CHRNB2 (0.52) HRH3CHRNA7SLC18A3CYP2D6CYP2C19
SCHEMBL18526474 0.80 HRH3 (0.46) HRH3CHRNA7
SCHEMBL4290379 0.79 HRH3 (0.51) HRH3CYP19A1CHRNA7MAPK1CYP3A4
SCHEMBL10770146 0.79 ALDH1A1 (0.50) HRH3CHRNA7ALDH1A1MAPTNPSR1

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-20120190721-A1 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS WYETH LLC (US) 2012-07-26 US disclosed
US-20110124699-A1 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS ABOU-GHARBIA MAGID A 2011-05-26 US disclosed
EP-1773322-A1 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS Wyeth (US) 2007-04-18 EP disclosed
WO-2006012477-A1 METHOD FOR TREATING NERVOUS SYSTEM DISORDERS AND CONDITIONS WYETH (US) 2006-02-02 WO disclosed
US-20060020014-A1 Method for treating nervous system disorders and conditions WYETH (US) 2006-01-26 US disclosed