SCHEMBL7436223

SCHEMBL7436223

CCCN(C1CCc2c(ccc3[nH]ccc23)C1)C(C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.56
HTR1B P28222 12/20 0.56
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 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
SCHEMBL7436227 1.00 HTR1D (0.56) HTR1DHTR1BDRD2DRD3HTR1A
SCHEMBL7434651 0.80 HTR1D (0.83) HTR1DHTR1BDRD2
SCHEMBL7447504 0.79 HTR1D (0.84) HTR1DHTR1BDRD2DRD3
SCHEMBL7436234 0.78 HTR1D (0.86) HTR1DHTR1BDRD2DRD3
SCHEMBL28997284 0.78 DRD2 (0.67) DRD2DRD3HTR1A
SCHEMBL28997283 0.78 DRD2 (0.67) DRD2DRD3HTR1A
SCHEMBL28997280 0.78 DRD2 (0.67) DRD2DRD3HTR1A
SCHEMBL30335277 0.78 DRD2 (0.67) DRD2DRD3HTR1A
SCHEMBL8318266 0.77 HTR1D (0.64) HTR1DHTR1B
SCHEMBL7443661 0.76 DRD2 (0.49) HTR1DHTR1BDRD2DRD3HTR1A

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 3 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
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed