SCHEMBL6563498

SCHEMBL6563498

Cc1cc(CCCNc2ccc(C(=N)N)cc2)ccc1C(=O)N(C)CCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.44
F2 P00734 4/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
DRD4 P21917 1/20 0.38
ACHE P22303 1/20 0.38
HRH2 P25021 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
HRH1 P35367 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
SCHEMBL6565505 0.80 MTOR (0.36) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7674335 0.79 PRSS1 (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6561828 0.73 MLYCD (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563626 0.72 F2 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL20001656 0.70 PRSS1 (0.66) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7668378 0.69 PLAU (0.49) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563814 0.68 PLAU (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL6563528 0.68 PRSS1 (0.51) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL5885652 0.67 PRSS1 (0.45) PRSS1F2PRSS2PRSS3BCL2L1
SCHEMBL6563934 0.67 SRD5A2 (0.49) BCL2L1MCL1LMNASCN9AKDM4E

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
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed