SCHEMBL8947812

SCHEMBL8947812

CC(N)c1c(-c2ccccc2)c2ccccc2c(=O)n1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TACR1 P25103 7/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CDK8 P49336 1/20 0.38
ACVR1 Q04771 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
SCHEMBL8947990 0.85 TACR1 (0.47) DPP4KMT2ALMNASMN1; SMN2BRD4
SCHEMBL8947892 0.85 DPP4 (0.64) DPP4TACR1
SCHEMBL1376897 0.76 KMT2A (0.51) DPP4KMT2ALMNASMN1; SMN2BRD4
SCHEMBL5235622 0.73 DPP4 (0.72) DPP4TACR1
SCHEMBL12687241 0.73 LMNA (0.43) DPP4KMT2ALMNASMN1; SMN2BRD4
SCHEMBL8784770 0.71 TACR1 (0.55) KMT2ALMNASMN1; SMN2BRD4TACR1
SCHEMBL9763498 0.71 LMNA (0.46) DPP4KMT2ALMNASMN1; SMN2BRD4
SCHEMBL8947816 0.71 DPP4 (0.74) DPP4KMT2ALMNASMN1; SMN2BRD4
SCHEMBL17718404 0.71 DPP4 (0.45) DPP4KMT2AKDM4EMAPT
SCHEMBL8785517 0.70 TACR1 (0.54) DPP4KMT2ALMNASMN1; SMN2BRD4

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