SCHEMBL7449385

SCHEMBL7449385

CCCN(CCC)C1Cc2ccc(O)cc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.78
DRD2 P14416 9/20 0.78
DRD4 P21917 4/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
CYP2D6 P10635 2/20 0.78
HTR1A P08908 1/20 0.78
ADRB2 P07550 1/20 0.78
CASP1 P29466 1/20 0.78
LMNA P02545 2/20 0.76
MAPT P10636 1/20 0.76
FYN P06241 1/20 0.70
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
Bromide SCHEMBL8688813 0.98 DRD3 (0.78) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL29448457 0.88 DRD2 (1.00) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL29460204 0.88 DRD2 (1.00) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL7499793 0.88 DRD2 (0.89) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL623950 0.88 DRD2 (1.00) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL8930123 0.88 DRD2 (1.00) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL7568447 0.88 DRD2 (1.00) DRD3DRD2DRD4MEN1KMT2A
Bromide SCHEMBL4204027 0.86 DRD2 (1.00) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL8443814 0.82 FYN (1.00) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL8689191 0.81 DRD3 (0.66) DRD3DRD2DRD4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708018-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1998-01-13 US disclosed
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
EP-0712387-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-05-22 EP disclosed
EP-0690843-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-01-10 EP disclosed
WO-1995004713-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS THE UPJOHN COMPANY (US) 1995-02-16 WO disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed