SCHEMBL7445601

SCHEMBL7445601

CCCN(C(=O)CC)C1Cc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
DRD1 P21728 4/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
HTR1A P08908 1/20 0.39
DRD5 P21918 1/20 0.39
HTR7 P34969 1/20 0.39
ADRB2 P07550 1/20 0.39
KMT2A Q03164 1/20 0.37

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
SCHEMBL7447925 0.85 ALDH1A1 (0.40) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7441864 0.82 DRD2 (0.48) DRD2DRD3HTR7
SCHEMBL8691953 0.81 DRD3 (0.42) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7443025 0.81 DRD3 (0.42) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7432736 0.79 DRD3 (0.57) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7433347 0.79 PNMT (0.47)
SCHEMBL12640603 0.78 HTR1A (0.43) DRD2DRD3HTR1AHTR7
SCHEMBL8317710 0.76 VCAM1 (0.37) DRD2DRD1HTR1A
SCHEMBL8631076 0.76 DRD2 (0.36) DRD2DRD1HTR1A
SCHEMBL8311336 0.75 HTR2A (0.43) DRD2DRD3HTR1AHTR7

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