SCHEMBL7439769

SCHEMBL7439769

CCCN(CCC)C1CCc2cc3c(cc2C1)C(=O)C(=O)N3

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.56
DRD2 P14416 8/20 0.51
DRD3 P35462 8/20 0.51
DRD4 P21917 4/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTR1A P08908 2/20 0.50
ADRB2 P07550 1/20 0.50
CYP2D6 P10635 1/20 0.50
CASP1 P29466 1/20 0.50
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL7443644 0.91 FYN (0.51) FYNDRD2DRD3DRD4HTR1A
SCHEMBL7441030 0.79 DRD3 (0.45) FYNDRD2DRD3DRD4HTR1A
SCHEMBL7443110 0.79 HTR1D (0.62) FYNDRD2DRD3DRD4MEN1
SCHEMBL8506561 0.77 FYN (0.62) FYNDRD2DRD3DRD4MEN1
SCHEMBL7433594 0.76 DRD2 (0.50) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7433603 0.76 DRD2 (0.50) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7452901 0.76 FYN (0.58) FYNDRD2DRD3DRD4MEN1
SCHEMBL10972719 0.75 HTR1D (0.57) DRD2DRD3DRD4HTR1AADRB2
SCHEMBL8132500 0.75 DRD2 (0.54) DRD2DRD3DRD4HTR1AADRB2
SCHEMBL8887664 0.75 HTR1D (0.66) DRD2DRD3HTR1ACYP2D6HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690843-B1 Formyl- or cyano- substituted indole derivatives having dopaminergic activity UPJOHN CO (US) 2000-08-30 EP disclosed
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
EP-0690843-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-01-10 EP disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed