SCHEMBL11469451

SCHEMBL11469451

O=C(c1ccccc1)C(O)CC(F)N1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
HTR2A P28223 1/20 0.47
HSD11B1 P28845 1/20 0.46
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CPB1 P15086 1/20 0.44
MGLL Q99685 2/20 0.43
MEN1 O00255 1/20 0.43
SLC18A3 Q16572 1/20 0.42

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
SCHEMBL11480981 0.94 HSD11B1 (0.56) HTR2AHSD11B1ALDH1A1
SCHEMBL11479693 0.84 ALDH1A1 (0.51) KMT2AALDH1A1MEN1
SCHEMBL11471644 0.80 MAPT (0.56) KMT2AALDH1A1
SCHEMBL11463532 0.79 MC4R (0.47) KMT2AHTR2AALDH1A1MEN1
SCHEMBL11470824 0.75 OPRL1 (0.53)
SCHEMBL11462953 0.75 OPRM1 (0.58) HTR2AHSD11B1KCNH2ALDH1A1
SCHEMBL11854451 0.73 SIGMAR1 (0.48) KMT2AKCNH2ALDH1A1SLC18A3
SCHEMBL11463659 0.72 DRD3 (0.44)
SCHEMBL11480374 0.72 KCNA5 (0.56) KMT2AALDH1A1MEN1
SCHEMBL11462098 0.72 SIGMAR1 (0.39) KMT2AALDH1A1MEN1

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-4235914-A ANTIPSYCHOTIC, HYPOTENSIVE, DEPRESSANTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-11-25 US disclosed