SCHEMBL20649017

SCHEMBL20649017

CN(C)C1CCN(CCCCn2ccc(NC(=O)c3ccc(NC(=O)C(C)(N)CO)cc3)nc2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.38
MAP3K5 Q99683 1/20 0.36
TNIK Q9UKE5 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
LYN P07948 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
FRK P42685 1/20 0.35
BLK P51451 1/20 0.35
PTK6 Q13882 1/20 0.35
MCHR1 Q99705 2/20 0.35
ABL1 P00519 2/20 0.34
RIN1 Q13671 2/20 0.34
HTR1F P30939 2/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL20648905 1.00 TRPV4 (0.38) TRPV4MAP3K5TNIKLCKFYN
SCHEMBL20648904 0.91 MAP3K5 (0.37) MAP3K5TNIKABL1RIN1HTR1F
SCHEMBL20648913 0.90 QPCT (0.37) MAP3K5MCHR1ABL1RIN1HTR1F
SCHEMBL20649248 0.90 QPCT (0.37) MAP3K5MCHR1ABL1RIN1HTR1F
SCHEMBL20648909 0.89 TRPV4 (0.38) TRPV4MAP3K5TNIKLCKFYN
SCHEMBL20649283 0.89 TRPV4 (0.38) TRPV4MAP3K5TNIKLCKFYN
SCHEMBL20648911 0.84 MAP3K5 (0.39) MAP3K5TNIKMCHR1ABL1RIN1
SCHEMBL20648776 0.82 MAP3K5 (0.39) MAP3K5ABL1RIN1
SCHEMBL20649188 0.80 MAP3K5 (0.37) MAP3K5TNIKABL1RIN1HTR1F
SCHEMBL20649215 0.79 MAP3K5 (0.46) MAP3K5ABL1RIN1

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
WO-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed