SCHEMBL7459191

SCHEMBL7459191

NCC1CC2CCC(C1)N2C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 1/20 0.49
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM3 P20309 2/20 0.41
ACHE P22303 1/20 0.41
CHRM1 P11229 5/20 0.40
CHRM2 P08172 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HTR1A P08908 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38

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
Hydrochloric Acid SCHEMBL7750263 0.98 ELOVL6 (0.48) ELOVL6OPRM1OPRD1OPRK1KCNH2
SCHEMBL18151913 0.82 ELOVL6 (0.52) ELOVL6L3MBTL3L3MBTL1ACHEHTR3E
SCHEMBL21162194 0.80 ELOVL6 (0.53) ELOVL6L3MBTL3L3MBTL1CHRM3ACHE
SCHEMBL20362472 0.77 BCL2 (0.43) OPRM1OPRD1OPRK1KCNH2CHRM3
SCHEMBL31716435 0.76 PLG (0.42) OPRM1OPRD1OPRK1KCNH2CHRM3
SCHEMBL18686529 0.76 PLG (0.42) OPRM1OPRD1OPRK1KCNH2CHRM3
SCHEMBL18686531 0.76 PLG (0.42) OPRM1OPRD1OPRK1KCNH2CHRM3
SCHEMBL5357723 0.76 HTR2C (0.51) ALDH1A1
SCHEMBL5357729 0.76 HTR2C (0.51) ALDH1A1
SCHEMBL19013662 0.75 KDM4E (0.45) ELOVL6OPRM1OPRD1L3MBTL3L3MBTL1

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-1021442-B1 8-AZABICYCLO 3.2.1] OCTANE-3-METHANAMINE DERIVATIVES AS LIGANDS OF D2 AND D3 DOPAMINE AND 5HT1A AND 5HT2 SEROTONIN RECEPTORS SANOFI SYNTHELABO (FR) 2002-01-30 EP disclosed
US-6221879-B1 8-azabicyclo[3.2.1] octane-3-methanamine derivatives as ligands of D2 and D3 dopamine and 5HT1A and 5HT2 serotonin receptors SANOFI-SYNTHELABO (FR) 2001-04-24 US disclosed