SCHEMBL6512480

SCHEMBL6512480

CCc1ccccc1N1CCC2CC=CC=C2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
DRD2 P14416 5/20 0.33
HTR1A P08908 4/20 0.33
DRD4 P21917 3/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
DRD3 P35462 3/20 0.33
TSHR P16473 1/20 0.33
ALOX5 P09917 1/20 0.33
MGLL Q99685 1/20 0.33
GRM2 Q14416 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC18A3 Q16572 1/20 0.32

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
SCHEMBL29163642 0.79 HTR1A (0.42) LMNADRD2HTR1AHTR2ATSHR
SCHEMBL10534322 0.77 MBTD1 (0.39) LMNASLC18A3
SCHEMBL29140942 0.73 NOTUM (0.37) LMNASLC18A3
SCHEMBL28240821 0.70 NOTUM (0.39) LMNATSHRMEN1KMT2A
SCHEMBL29163640 0.70 NOTUM (0.39) DRD4MEN1KMT2A
SCHEMBL28740969 0.69 HTR3E (0.41) LMNADRD2TSHRKMT2ASLC18A3
SCHEMBL28344652 0.68
SCHEMBL10424519 0.67 HTR1A (0.59) LMNADRD2HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL9270711 0.67 LMNA (0.55) LMNA
SCHEMBL10922111 0.66 QDPR (0.40) HTR2A

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-2005077885-A1 RUTHENIUM-CATALYZED HYDROAMINATION OF OLEFINS YALE UNIVERSITY (US) 2005-08-25 WO disclosed