SCHEMBL10387883

SCHEMBL10387883

O=[C]N1CCN(CCCCCCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.69
SIGMAR1 Q99720 14/20 0.66
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL10388554 0.98 CCR3 (0.71) CCR3SIGMAR1MEN1TP53CYP1A2
SCHEMBL8984830 0.87 SLC6A3 (0.61) CCR3SIGMAR1MEN1KMT2A
SCHEMBL8092982 0.87 SIGMAR1 (0.85) CCR3SIGMAR1MEN1TP53CYP1A2
SCHEMBL3031390 0.84 SIGMAR1 (0.66) CCR3SIGMAR1MEN1TP53CYP1A2
SCHEMBL5544570 0.84 SIGMAR1 (0.66) CCR3SIGMAR1MEN1TP53CYP1A2
SCHEMBL8091647 0.83 CCR3 (0.96) CCR3SIGMAR1KMT2A
SCHEMBL3034316 0.83 SIGMAR1 (0.66) CCR3SIGMAR1MEN1TP53CYP1A2
SCHEMBL8092895 0.82 CCR3 (1.00) CCR3SIGMAR1KMT2A
SCHEMBL30671729 0.80 SIGMAR1 (0.96) CCR3SIGMAR1
SCHEMBL7366514 0.80 SIGMAR1 (1.00) CCR3SIGMAR1

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-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 US disclosed