SCHEMBL9212249

SCHEMBL9212249

NC(=O)OCCNCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
GAA P10253 2/20 0.56
TAAR1 Q96RJ0 1/20 0.54
SIGMAR1 Q99720 4/20 0.50
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
FDPS P14324 1/20 0.45
ANPEP P15144 1/20 0.45

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
SCHEMBL29133806 0.85 LMNA (0.57) LMNAOPRM1OPRD1OPRK1MEN1
Hydrochloric Acid SCHEMBL4987504 0.83 LMNA (0.56) LMNAGAATAAR1SIGMAR1OPRM1
Phenylethyl Carbamate SCHEMBL111316 0.82 LMNA (0.79) LMNACA1CA2TDP1ALDH1A1
SCHEMBL28906679 0.81 LMNA (0.54) LMNAGAATDP1KDM4EALDH1A1
Phenylethyl Carbamate SCHEMBL29827053 0.81 LMNA (0.61) LMNATAAR1MEN1KMT2ACA12
SCHEMBL11307950 0.80 THRB (0.56) GAATAAR1SIGMAR1MEN1KMT2A
SCHEMBL7273307 0.80 GAA (0.55) GAATAAR1SIGMAR1OPRM1MEN1
Phenprobamate SCHEMBL134496 0.79 LMNA (1.00) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL23045236 0.78 LMNA (0.46) LMNA
SCHEMBL2432448 0.78 KCNH2 (0.50) LMNAOPRM1OPRD1MEN1KMT2A

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-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP disclosed