SCHEMBL8494372

SCHEMBL8494372

O=C(CCCC(c1ccccc1)c1ccccc1)CCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.54
HTR2A P28223 3/20 0.54
GRM2 Q14416 1/20 0.50
GRM3 Q14832 1/20 0.50
TBXAS1 P24557 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CNR1 P21554 2/20 0.47
EPHX2 P34913 1/20 0.47
CNR2 P34972 1/20 0.47
C3AR1 Q16581 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL5402685 0.88 TBXAS1 (0.49) HRH1HTR2AGRM2GRM3TBXAS1
SCHEMBL27593431 0.88 SIGMAR1 (0.49) HRH1HTR2AGRM2GRM3TBXAS1
SCHEMBL5692956 0.87 TBXAS1 (0.63) HRH1HTR2AGRM2GRM3TBXAS1
SCHEMBL8494351 0.86 MTNR1A (0.52) HRH1HTR2AGRM2GRM3TBXAS1
SCHEMBL4219820 0.85 HRH1 (0.57) HRH1HTR2AGRM2GRM3TBXAS1
Hydrochloric Acid SCHEMBL2861647 0.85 TBXAS1 (0.61) HRH1HTR2AGRM2GRM3TBXAS1
SCHEMBL7011219 0.84 ASAH1 (0.52) TBXAS1SIGMAR1
SCHEMBL31108377 0.84 ASAH1 (0.52) TBXAS1SIGMAR1
SCHEMBL3943859 0.84 MTNR1A (0.47) HRH1HTR2AGRM2GRM3TBXAS1
SCHEMBL8551678 0.83 HTR2A (0.47) HRH1HTR2AGRM2GRM3TBXAS1

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