SCHEMBL27458564

SCHEMBL27458564

OC1(C(F)(F)F)CCN(CCc2ccc3ncccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
KCNH2 Q12809 2/20 0.49
CHKA P35790 2/20 0.46
MET P08581 4/20 0.42
DAO P14920 1/20 0.39
SLC6A4 P31645 1/20 0.39
CCR3 P51677 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
KCNJ1 P48048 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
OTUD7B Q6GQQ9 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL6945355 0.81 OPRL1 (0.60) HRH3KCNH2SMN1; SMN2
SCHEMBL18906769 0.77 SLC6A4 (0.66) HRH3KCNH2CHKAMETDAO
SCHEMBL17448255 0.77 HRH3 (0.56) HRH3KCNH2CHKAMETDAO
SCHEMBL27460493 0.77 TRPA1 (0.40) HRH3KCNH2CHKAMETOTUD7B
Hydrochloric Acid SCHEMBL17444676 0.76 SLC6A4 (0.64) HRH3KCNH2CHKAMETDAO
SCHEMBL17444603 0.75 KCNH2 (0.52) HRH3KCNH2CHKAMETCCR3
SCHEMBL27459776 0.74 HRH3 (0.48) HRH3KCNH2CHKAMETDAO
SCHEMBL18889390 0.74 KCNH2 (0.53) HRH3KCNH2CHKAMETDAO
SCHEMBL4587366 0.72 DRD2 (0.56) HRH3KCNH2CHKASMN1; SMN2
SCHEMBL17444664 0.72 KCNH2 (0.48) HRH3KCNH2CHKAMETABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1158276-C Phenyl-and pyridyl-tetrahydropyridines with TNF inhibiting activity ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-07-21 CN disclosed
CN-1391570-A Phenyl-and pyridyl-tetrahydro-pyridines having TNF inhibiting activity SANOFI SYNTHELABO (FR) 2003-01-15 CN disclosed