SCHEMBL10587267

SCHEMBL10587267

O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)C2CCCCCC2)cc1)C1CCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.61
SLC6A5 Q9Y345 2/20 0.61
AGER Q15109 1/20 0.57
UBE2M P61081 6/20 0.56
DCUN1D1 Q96GG9 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.50
CCR1 P32246 2/20 0.49
LMNA P02545 1/20 0.49
PTBP1 P26599 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
EPHX1 P07099 1/20 0.49
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL11621624 0.94 AGER (0.64) SLC6A9SLC6A5AGERUBE2MDCUN1D1
Pencycuron SCHEMBL22525 0.92 AGER (0.62) SLC6A9SLC6A5AGERUBE2MDCUN1D1
Pencycuron SCHEMBL8817027 0.92 AGER (0.62) SLC6A9SLC6A5AGERUBE2MDCUN1D1
SCHEMBL7802288 0.92 DCUN1D1 (0.66) SLC6A9SLC6A5AGERUBE2MDCUN1D1
SCHEMBL19570417 0.91 CCR1 (0.56) SLC6A9SLC6A5AGERUBE2MDCUN1D1
SCHEMBL23200170 0.90 SLC6A9 (0.54) SLC6A9SLC6A5AGERUBE2MDCUN1D1
SCHEMBL9257544 0.90 SLC6A9 (0.59) SLC6A9SLC6A5AGERUBE2MDCUN1D1
SCHEMBL10587249 0.87 SLC6A9 (0.58) SLC6A9SLC6A5AGERUBE2MDCUN1D1
Pencycuron SCHEMBL16931548 0.86 AGER (0.55) SLC6A9SLC6A5AGERUBE2MDCUN1D1
SCHEMBL11447172 0.84 POLB (0.59) AGERSMN1; SMN2ALDH1A1LMNACYP2C9

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-0325397-A1 Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-07-26 EP disclosed