SCHEMBL7989072

SCHEMBL7989072

Clc1cccc(CCN2CCN(c3ccccc3)CC2)c1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.84
HTR1A P08908 4/20 0.71
DRD2 P14416 2/20 0.71
KCNH2 Q12809 1/20 0.60
HTR7 P34969 3/20 0.59
MAPT P10636 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58

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
SCHEMBL9373313 0.91 SIGMAR1 (1.00) SIGMAR1HTR1ADRD2KCNH2HTR7
SCHEMBL6509439 0.84 DRD2 (1.00) SIGMAR1HTR1ADRD2KCNH2MAPT
SCHEMBL9373469 0.83 SIGMAR1 (1.00) SIGMAR1HTR1AKCNH2SLC6A2SLC6A4
SCHEMBL10861239 0.82 HTR1A (0.72) SIGMAR1HTR1ADRD2HTR7MAPT
Hydrochloric Acid SCHEMBL1299006 0.82 SIGMAR1 (0.71) SIGMAR1
SCHEMBL7995650 0.82 HTR1A (0.71) SIGMAR1HTR1ADRD2KCNH2HTR7
Hydrochloric Acid SCHEMBL8092298 0.82 SIGMAR1 (0.97) SIGMAR1HTR1AKCNH2HTR7SLC6A2
SCHEMBL9374413 0.80 SIGMAR1 (0.76) SIGMAR1HTR1ADRD2KCNH2HTR7
SCHEMBL1334024 0.79 LMNA (0.69) SIGMAR1HTR1AKCNH2HTR7SLC6A2
SCHEMBL28742033 0.78 SIGMAR1 (0.56) SIGMAR1HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO claimed