SCHEMBL8053071

SCHEMBL8053071

NCC1(CO)CC(OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.51
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
EPHX2 P34913 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
BDKRB2 P30411 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL8345616 0.90 CTSL (0.46) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL27229751 0.82 CTSL (0.40) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL18544429 0.81 DPP4 (0.47) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL22501954 0.81 CTSL (0.44) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL3818209 0.81 OPRM1 (0.47) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL18544430 0.81 DPP4 (0.47) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL16399329 0.81 DPP4 (0.47) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL22029580 0.81 CARM1 (0.46) DPP4CTSLCTSBCTSKOPRM1
SCHEMBL27229703 0.81 BCHE (0.40) DPP4CTSLCTSBCTSKOPRM1
Hydrochloric Acid SCHEMBL17685951 0.79 DPP4 (0.46) DPP4CTSLCTSBCTSKOPRM1

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
US-6080750-A FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS NIPPON SHOJI KAISHA LTD. (JP) 2000-06-27 US disclosed
EP-0806418-A2 Novel pyrimidine compound and anti-rotavirus agent NIPPON SHOJI KAISHA, LIMITED (JP) 1997-11-12 EP disclosed