SCHEMBL7652819

SCHEMBL7652819

CCN(CCN1CCN(Cc2cccc3ccccc23)C1=C(C#N)C#N)Cc1ccc(CN(C)C)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.77
NPSR1 Q6W5P4 2/20 0.33
OPRL1 P41146 1/20 0.33
ACHE P22303 2/20 0.33
CYP2D6 P10635 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 4/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CDYL Q9Y232 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
SCHEMBL7655864 0.93 HRH3 (0.72) HRH3NPSR1OPRL1ACHECYP2D6
SCHEMBL7665250 0.93 HRH3 (0.71) HRH3NPSR1OPRL1ACHEMAPT
SCHEMBL7657546 0.91 HRH3 (0.69) HRH3NPSR1OPRL1ACHEKCNH2
SCHEMBL7663692 0.90 HRH3 (0.67) HRH3OPRL1ACHEMAPTGAA
SCHEMBL7659427 0.90 HRH3 (0.67) HRH3
SCHEMBL7654578 0.88 HRH3 (0.65) HRH3NPSR1OPRL1LMNAMAPT
SCHEMBL7658318 0.88 HRH3 (0.65) HRH3MAPK1
SCHEMBL7663686 0.88 HRH3 (0.65) HRH3OPRL1ACHESIGMAR1MAPT
SCHEMBL7660585 0.85 HRH3 (0.62) HRH3
SCHEMBL7661601 0.85 HRH3 (0.61) HRH3

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
US-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 US disclosed