SCHEMBL8631076

SCHEMBL8631076

CCCN(C(=O)CC)C1CCc2c([N+](=O)[O-])ccc(Br)c2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.36
DRD1 P21728 3/20 0.36
HTR1A P08908 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRM1 P35372 1/20 0.34
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL8317710 0.88 VCAM1 (0.37) DRD2DRD1HTR1AOPRM1
Hydrochloric Acid SCHEMBL8632206 0.81 LMNA (0.37) DRD2HTR1ACYP1A2CYP2D6PKM
SCHEMBL8311336 0.80 HTR2A (0.43) DRD2HTR1ACYP1A2CYP2D6TSHR
SCHEMBL8633421 0.77 HTR1A (0.51) DRD2HTR1ACYP1A2CYP2D6TSHR
SCHEMBL8634119 0.76 DRD2 (0.34) DRD2HTR1ACYP1A2CYP2D6PKM
SCHEMBL7445601 0.76 DRD2 (0.42) DRD2DRD1HTR1A
SCHEMBL8318446 0.71 HTR1A (0.48) DRD2DRD1HTR1ACYP1A2CYP2D6
SCHEMBL12640603 0.71 HTR1A (0.43) DRD2HTR1ACYP1A2CYP2D6TSHR
SCHEMBL10639140 0.69 DRD2 (0.58) DRD2HTR1A
SCHEMBL7433347 0.68 PNMT (0.47)

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
EP-0683155-B1 Tetrahydrobenz cd indoles with serotonin regulatory activity LILLY CO ELI (US) 1998-07-01 EP disclosed
EP-0683155-A1 Tetrahydrobenz cd indoles with serotonin regulatory activity ELI LILLY AND COMPANY (US) 1995-11-22 EP disclosed