SCHEMBL8771990

SCHEMBL8771990

CCC(C)[C@@H](C(N)=O)N(C(=O)Oc1ccccc1)C(C)CN(C)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 11/20 0.38
TDP1 Q9NUW8 2/20 0.36
SRD5A1 P18405 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPY5R Q15761 2/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL8771937 0.91 TDP1 (0.38) GPR88TDP1SRD5A1NPC1ALDH1A1
SCHEMBL8771995 0.70 MEN1 (0.40) TDP1ALDH1A1
SCHEMBL9223979 0.69 MEN1 (0.37) GPR88TDP1ALDH1A1SMN1; SMN2
SCHEMBL30847603 0.67 SMN1; SMN2 (0.60) TDP1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8772026 0.66 MTNR1A (0.40) TDP1NPC1ALDH1A1RAB9AATM
SCHEMBL5370760 0.65 NPY5R (0.57) TDP1NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8771946 0.64 SLC1A3 (0.40) TDP1ALDH1A1
SCHEMBL8771767 0.63 MMP2 (0.44) ALDH1A1
SCHEMBL9229856 0.63 ALDH1A1 (0.39) TDP1NPC1ALDH1A1RAB9A
SCHEMBL8771829 0.63 PSMB5 (0.40) ALDH1A1

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed