SCHEMBL9824113

SCHEMBL9824113

CCCN1CCC[C@H]2CCC(=O)C[C@H]21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD3 P35462 3/20 0.47
LMNA P02545 2/20 0.47
DRD1 P21728 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 1/20 0.47
CYP2C19 P33261 1/20 0.47
GRM5 P41594 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BLM P54132 2/20 0.46
CYP2D6 P10635 1/20 0.44
HTR1A P08908 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL274434 1.00 DRD2 (0.47) DRD2DRD3LMNADRD1MEN1
SCHEMBL274433 1.00 DRD2 (0.47) DRD2DRD3LMNADRD1MEN1
SCHEMBL9824110 1.00 DRD2 (0.47) DRD2DRD3LMNADRD1MEN1
SCHEMBL31346795 1.00 DRD2 (0.47) DRD2DRD3LMNADRD1MEN1
SCHEMBL31346794 1.00 DRD2 (0.47) DRD2DRD3LMNADRD1MEN1
SCHEMBL7272577 0.89 DRD2 (0.49) DRD2DRD3LMNADRD1MEN1
SCHEMBL10840848 0.89 DRD2 (0.49) DRD2DRD3LMNADRD1MEN1
SCHEMBL4959151 0.89 DRD2 (0.49) DRD2DRD3LMNADRD1MEN1
SCHEMBL7272572 0.89 DRD2 (0.49) DRD2DRD3LMNADRD1MEN1
SCHEMBL5998568 0.89 DRD2 (0.49) DRD2DRD3LMNADRD1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172697-B1 Octahydro-oxazolo[4,5-g]quinolines ELI LILLY AND COMPANY (US) 1991-09-25 EP disclosed
US-4698347-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS, SEXUAL DISFUNCTION, PARKINSONS DISEASE ELI LILLY AND COMPANY (US) 1987-10-06 US disclosed
US-4659832-A REACTING UREA (OR ISOUREA) WITH 6-OXO-BROMO-QUINOLINE ELI LILLY AND COMPANY (US) 1987-04-21 US disclosed
US-4600777-A Method of preparing 1-alkyl-7-oxodecahydroquinolines, and cis(±) and tran(±)isomers so prepared ELI LILLY AND COMPANY (US) 1986-07-15 US disclosed
EP-0172697-A2 Octahydro-oxazolo[4,5-g]quinolines ELI LILLY AND COMPANY (US) 1986-02-26 EP disclosed