SCHEMBL8930123

SCHEMBL8930123

CCCN(CCC)[C@H]1CCc2ccc(O)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 1.00
DRD3 P35462 15/20 1.00
DRD4 P21917 8/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
CYP2D6 P10635 2/20 1.00
HTR1A P08908 1/20 1.00
ADRB2 P07550 1/20 1.00
CASP1 P29466 1/20 1.00
LMNA P02545 2/20 0.97
MAPT P10636 1/20 0.97
ALDH1A1 P00352 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP2C9 P11712 1/20 0.75
TSHR P16473 1/20 0.75
CYP2C19 P33261 1/20 0.75
FYN P06241 1/20 0.71

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
SCHEMBL29460204 1.00 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL29448457 1.00 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7568447 1.00 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL623950 1.00 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
Bromide SCHEMBL4204027 0.99 DRD2 (1.00) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7499793 0.94 DRD2 (0.89) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL28381701 0.91 DRD2 (0.83) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL28381702 0.91 DRD2 (0.83) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL10074634 0.88 DRD2 (0.79) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL9585366 0.88 DRD2 (0.85) DRD2DRD3DRD4MEN1KMT2A

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
JP-9002973-A None JP disclosed
JP-H092973-A VOMIT-INDUCING AGENT AND INDUCTION OF VOMITING DAINIPPON PHARMACEUT CO LTD 1997-01-07 JP disclosed