SCHEMBL10686306

SCHEMBL10686306

CCN1CCc2c([nH]c3ccccc23)C(CO)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
DRD5 P21918 1/20 0.50
MAPT P10636 1/20 0.50
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
SLC6A4 P31645 1/20 0.47
POLB P06746 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ABCG2 Q9UNQ0 3/20 0.45
ABCB1 P08183 2/20 0.45
CHRNA7 P36544 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44

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
SCHEMBL10682960 0.90 DRD2 (0.48) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10685213 0.90 ADRA1D (0.51) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10682913 0.85 ACHE (0.54) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10690528 0.85 SIGMAR1 (0.56) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10687988 0.85 ADRA1D (0.46) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10681421 0.85 ADRA1D (0.48) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10688707 0.85 ADRA1D (0.56) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10686642 0.84 SIGMAR1 (0.55) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10690885 0.83 LMNA (0.52) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL10682956 0.81 DRD2 (0.52) ADRA1DADRA1AADRA1BMEN1KMT2A

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
US-4719208-A 1,2,3,4,5,6-hexahydroazepino(4,5-B)indole derivatives, their preparation, intermediate compounds, and their application in therapeutics OMNICHEM SOCIETE ANONYME (BE) 1988-01-12 US claimed
US-4719208-A 1,2,3,4,5,6-hexahydroazepino(4,5-B)indole derivatives, their preparation, intermediate compounds, and their application in therapeutics OMNICHEM SOCIETE ANONYME (BE) 1988-01-12 US disclosed