SCHEMBL4009307

SCHEMBL4009307

CC1(C)COB(C2=CCNCC2)OC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
MAPK1 P28482 2/20 0.32
TSHR P16473 2/20 0.32
GABRR1 P24046 2/20 0.32
BLM P54132 2/20 0.32
RGS12 O14924 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRR2 P28476 1/20 0.32
GNAI1 P63096 1/20 0.32
PMP22 Q01453 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL457989 0.79 P2RX7 (0.55) P2RX7MAPK1TSHRGABRR1BLM
Hydrochloric Acid SCHEMBL2631288 0.77 P2RX7 (0.53) P2RX7MAPK1TSHRGABRR1BLM
SCHEMBL2939523 0.69 P2RX7 (0.33) P2RX7MAPK1
SCHEMBL25166342 0.69 P2RX7 (0.61) P2RX7MAPK1
SCHEMBL7890518 0.68 QDPR (0.33) P2RX7MAPK1
Trifluoroacetic Acid SCHEMBL4111685 0.67 F2 (0.42) P2RX7MAPK1TSHRGABRR1BLM
SCHEMBL4300539 0.67
SCHEMBL4007003 0.63
SCHEMBL2538252 0.62 SNCA (0.38)
SCHEMBL4264297 0.62 SNCA (0.44)

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-2009081259-A1 PHENOXY-PYRIDYL DERIVATIVES PFIZER INC. (US) 2009-07-02 WO disclosed