SCHEMBL762533

SCHEMBL762533

CCCCn1c([C@@H]2CCCNC2)nc2cc(C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.51
HRH1 P35367 2/20 0.51
TLR8 Q9NR97 2/20 0.48
JAK2 O60674 6/20 0.43
JAK1 P23458 6/20 0.43
TYK2 P29597 6/20 0.43
JAK3 P52333 6/20 0.43
P2RX3 P56373 1/20 0.42
POLB P06746 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CNR2 P34972 2/20 0.40
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 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
SCHEMBL741971 0.89 HRH1 (0.53) CHRM1HRH1TLR8JAK2JAK1
SCHEMBL741972 0.89 HRH1 (0.53) CHRM1HRH1TLR8JAK2JAK1
SCHEMBL763158 0.85 HRH1 (0.68) CHRM1HRH1TLR8POLBOPRM1
SCHEMBL740741 0.77 HRH1 (0.54) CHRM1HRH1JAK2JAK1TYK2
SCHEMBL740742 0.77 HRH1 (0.54) CHRM1HRH1JAK2JAK1TYK2
SCHEMBL739842 0.74 HRH1 (0.70) CHRM1HRH1POLBOPRM1OPRD1
SCHEMBL739843 0.74 HRH1 (0.70) CHRM1HRH1POLBOPRM1OPRD1
SCHEMBL763181 0.74 TLR8 (0.51) CHRM1HRH1TLR8
SCHEMBL741000 0.72 CHRM1 (0.49) CHRM1HRH1JAK2JAK1TYK2
SCHEMBL741001 0.72 CHRM1 (0.49) CHRM1HRH1JAK2JAK1TYK2

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-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed