SCHEMBL11468016

SCHEMBL11468016

CCCCCCNC(=O)N(CCCN1CCN(CCCN(C(=N)N)C(=O)NCCCCCC)CC1)C(=N)N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
GNAI3 P08754 3/20 0.43
GNAO1 P09471 3/20 0.43
GNAI1 P63096 3/20 0.43
SPHK1 Q9NYA1 4/20 0.42
KDM4E B2RXH2 1/20 0.41
FPR3 P25089 2/20 0.40
FPR2 P25090 2/20 0.40
EPHX1 P07099 5/20 0.38
DRD2 P14416 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RRM1 P23921 1/20 0.36
BCHE P06276 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
SCHEMBL11460240 0.96 USP2 (0.41) USP2GNAI3GNAO1GNAI1SPHK1
SCHEMBL8032200 0.86 EPHX1 (0.47) GNAI3GNAO1GNAI1SPHK1EPHX1
SCHEMBL11501702 0.81 SPHK1 (0.43) GNAI3GNAO1GNAI1SPHK1EPHX1
SCHEMBL3070903 0.80 EPHX1 (0.40) SPHK1EPHX1
SCHEMBL11459630 0.80 USP2 (0.45) USP2KDM4EFPR3FPR2SMN1; SMN2
SCHEMBL11468029 0.79 USP2 (0.36) USP2GNAI3GNAO1GNAI1SMN1; SMN2
SCHEMBL11573567 0.75 USP2 (0.37) USP2GNAI3GNAO1GNAI1TP53
SCHEMBL13868080 0.74 EPHX1 (0.57) EPHX1
SCHEMBL20623094 0.74 EPHX1 (0.57) EPHX1
SCHEMBL13097658 0.74 EPHX1 (0.57) EPHX1

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-4209624-A Process for preparing substituted bis(amidinoureas) COOPER LABORATORIES, INC. (US) 1980-06-24 US claimed