SCHEMBL8634119

SCHEMBL8634119

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
CYP1A2 P05177 1/20 0.34
HTR1A P08908 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
LMNA P02545 2/20 0.34
PMP22 Q01453 2/20 0.34
GLA P06280 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD3 P35462 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
Hydrochloric Acid SCHEMBL8632206 0.79 LMNA (0.37) DRD2CYP1A2HTR1ACYP2D6PKM
SCHEMBL8631076 0.76 DRD2 (0.36) DRD2CYP1A2HTR1ACYP2D6PKM
SCHEMBL8633421 0.74 HTR1A (0.51) DRD2CYP1A2HTR1ACYP2D6TSHR
SCHEMBL8631128 0.66 HTR1D (0.35) DRD2HTR1A
SCHEMBL9449401 0.66 DRD2 (0.40) DRD2HTR1ADRD3
SCHEMBL7335068 0.66 DRD2 (0.51) DRD2HTR1ADRD3
SCHEMBL8312041 0.66 HTR1A (0.51) DRD2CYP1A2HTR1ACYP2D6TSHR
SCHEMBL8317710 0.65 VCAM1 (0.37) DRD2HTR1A
SCHEMBL8318624 0.64 HTR1A (0.44) DRD2CYP1A2HTR1ACYP2D6TSHR
SCHEMBL7331680 0.63 DRD2 (0.47) DRD2HTR1ADRD3

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-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
US-5385928-A Antiserotonine agent ELI LILLY AND COMPANY (US) 1995-01-31 US disclosed