SCHEMBL8947816

SCHEMBL8947816

Cn1c(CCN)c(-c2ccccc2)c2ccccc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.74
TACR1 P25103 8/20 0.52
KCNA5 P22460 1/20 0.48
KCNH2 Q12809 1/20 0.48
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5235622 0.88 DPP4 (0.72) DPP4TACR1KCNA5KCNH2
SCHEMBL8947993 0.86 DPP4 (0.71) DPP4TACR1KCNA5KCNH2
SCHEMBL8947899 0.85 DPP4 (1.00) DPP4TACR1KCNA5KCNH2
SCHEMBL2900202 0.83 KCNA5 (0.73) DPP4TACR1KCNA5KCNH2SMN1; SMN2
Hydrochloric Acid SCHEMBL2901589 0.82 DPP4 (0.71) DPP4TACR1KCNA5KCNH2SMN1; SMN2
SCHEMBL10737608 0.81 DPP4 (0.54) DPP4KMT2ALMNASMN1; SMN2MEN1
SCHEMBL8785517 0.81 TACR1 (0.54) DPP4TACR1KCNA5KCNH2KMT2A
SCHEMBL8947966 0.79 TACR1 (0.56) DPP4TACR1KCNA5KCNH2KMT2A
SCHEMBL8948070 0.78 TACR1 (0.51) DPP4TACR1KCNA5KCNH2KMT2A
SCHEMBL4686848 0.75 TACR1 (0.49) DPP4TACR1KCNA5KCNH2KMT2A

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-5527811-A CALCIUM- AND SUBSTANCE P RECEPTOR-ANTAGONIST ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US claimed