SCHEMBL740742

SCHEMBL740742

COCCCn1c(C2CCCNC2)nc2cc(F)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.54
CHRM1 P11229 4/20 0.54
REN P00797 1/20 0.41
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
TYK2 P29597 4/20 0.41
JAK3 P52333 4/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 2/20 0.38
BRD4 O60885 1/20 0.38
P2RX3 P56373 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PRPS1 P60891 1/20 0.37
ITK Q08881 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
SCHEMBL740741 1.00 HRH1 (0.54) HRH1CHRM1RENJAK2JAK1
SCHEMBL742774 0.92 HRH1 (0.54) HRH1CHRM1RENMAPTTP53
SCHEMBL742773 0.92 HRH1 (0.54) HRH1CHRM1RENMAPTTP53
SCHEMBL741971 0.89 HRH1 (0.53) HRH1CHRM1RENJAK2JAK1
SCHEMBL741972 0.89 HRH1 (0.53) HRH1CHRM1RENJAK2JAK1
SCHEMBL739843 0.85 HRH1 (0.70) HRH1CHRM1RENKCNH2BRD4
SCHEMBL739842 0.85 HRH1 (0.70) HRH1CHRM1RENKCNH2BRD4
SCHEMBL741000 0.84 CHRM1 (0.49) HRH1CHRM1RENJAK2JAK1
SCHEMBL741001 0.84 CHRM1 (0.49) HRH1CHRM1RENJAK2JAK1
Piperidine SCHEMBL742276 0.83 HRH1 (0.67) HRH1CHRM1RENKCNH2

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