SCHEMBL4840186

SCHEMBL4840186

CC(C)N1CCC(Oc2ccc(C3(CNC(=O)c4ncccn4)CCOCC3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.57
HTT P42858 2/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3277267 0.86 HRH3 (0.64) HRH3HTTALDH1A1L3MBTL1
SCHEMBL3271695 0.86 HRH3 (0.64) HRH3HTTALDH1A1
SCHEMBL3271440 0.85 HRH3 (0.55) HRH3
SCHEMBL3272610 0.82 HRH3 (0.64) HRH3
SCHEMBL3271251 0.81 HRH3 (0.61) HRH3
SCHEMBL3272293 0.79 HRH3 (0.59) HRH3
SCHEMBL3274643 0.79 HRH3 (0.52) HRH3
SCHEMBL3271979 0.78 HRH3 (0.52) HRH3
SCHEMBL3271816 0.77 HRH3 (0.65) HRH3
SCHEMBL3270769 0.77 HRH3 (0.56) HRH3

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-7456164-B2 Useful for treatment of H3-related diseases such as neurologic disorders, or inflammatory, respiratory and allergic diseases, disorders and conditions; for example, 4-[4-(1-isopropylpiperidin-4-yloxy)phenyl]tetrahydropyran-4-carbonitrile; well absorbed from gastrointestinal tract, metabolically stable PFIZER, INC (US) 2008-11-25 US claimed