SCHEMBL22491318

SCHEMBL22491318

CCCC(C)(NC(Cc1cncn1C)C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.35
ACE P12821 3/20 0.35
CAPN1 P07384 1/20 0.33
CPB2 Q96IY4 3/20 0.32
CPB1 P15086 1/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CYP2C9 P11712 2/20 0.30
CHRM3 P20309 2/20 0.30
CHRM2 P08172 1/20 0.30
CYP2A6 P11509 1/20 0.30
CNR1 P21554 1/20 0.30
HTR2A P28223 1/20 0.30
CYP2A13 Q16696 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL13046895 0.77 ACE2 (0.41) ACE2ACECAPN1CPB2CPB1
SCHEMBL22491299 0.77 ACE2 (0.45) ACE2ACEFNTAFNTB
SCHEMBL22491307 0.77 ACE2 (0.45) ACE2ACEFNTAFNTB
SCHEMBL3007905 0.77 ACE (0.49) ACEMAPK1
SCHEMBL3007900 0.77 ACE (0.49) ACEMAPK1
SCHEMBL7052233 0.77 ACE (0.49) ACEMAPK1
SCHEMBL20839555 0.76 ACE2 (0.40) ACE2ACECAPN1FNTAFNTB
SCHEMBL634586 0.76 ITGA4 (0.45) ACE2ACECAPN1FNTAFNTB
SCHEMBL22491316 0.75 ACE (0.43) ACE2ACECAPN1CPB2FNTA
SCHEMBL8824843 0.75 KDM4E (0.41) ACE2ACECAPN1FNTAFNTB

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
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP disclosed