SCHEMBL8497675

SCHEMBL8497675

N#Cc1cccc(/C=C/C(=O)/C=C/c2cccc(C#N)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HB P07237 13/20 0.66
MAOA P21397 3/20 0.58
MAOB P27338 3/20 0.58
FBP1 P09467 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
HSD17B3 P37058 1/20 0.56
PLIN1 O60240 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
F3 P13726 1/20 0.52
RECQL P46063 1/20 0.52
PLIN5 Q00G26 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABHD5 Q8WTS1 1/20 0.52

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
SCHEMBL7339707 1.00 P4HB (0.66) P4HBMAOAMAOBFBP1CYP1A2
SCHEMBL1225943 0.88 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL30745014 0.88 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL30912094 0.88 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL1225940 0.88 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL6977108 0.86 P4HB (0.62) P4HBMAOAMAOBFBP1
SCHEMBL4359926 0.86 P4HB (0.62) P4HBMAOAMAOBFBP1
SCHEMBL6977115 0.86 P4HB (0.62) P4HBMAOAMAOBFBP1
SCHEMBL4101470 0.86 P4HB (0.62) P4HBMAOAMAOBFBP1
Hydrochloric Acid SCHEMBL4101473 0.86 P4HB (0.62) P4HBMAOAMAOBFBP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed