SCHEMBL5591234

SCHEMBL5591234

O[C@@H]1C[C@@H]2C[C@H]1N(Cc1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
SIGMAR1 Q99720 4/20 0.49
FUCA1 P04066 2/20 0.49
GBA1 P04062 1/20 0.48
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL566923 1.00 MAPT (0.58) MAPTSIGMAR1FUCA1GBA1CYP3A4
SCHEMBL16043911 1.00 MAPT (0.58) MAPTSIGMAR1FUCA1GBA1CYP3A4
SCHEMBL16044726 1.00 MAPT (0.58) MAPTSIGMAR1FUCA1GBA1CYP3A4
SCHEMBL566922 1.00 MAPT (0.58) MAPTSIGMAR1FUCA1GBA1CYP3A4
SCHEMBL2079349 0.87 MAPT (0.55) MAPTSIGMAR1FUCA1
SCHEMBL3898603 0.87 MAPT (0.55) MAPTSIGMAR1FUCA1GBA1CYP3A4
SCHEMBL1974795 0.87 MAPT (0.55) MAPTSIGMAR1FUCA1GBA1CYP3A4
SCHEMBL30420145 0.87 MAPT (0.55) MAPTSIGMAR1FUCA1GBA1CYP3A4
SCHEMBL7941754 0.87 MAPT (0.55) MAPTSIGMAR1FUCA1GBA1CYP3A4
Hydrochloric Acid SCHEMBL11674164 0.86 MAPT (0.54) MAPTSIGMAR1FUCA1GBA1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007023382-A2 PYRIMIDINE AMINO PYRAZOLE COMPOUNDS, POTENT KINASE INHIBITORS PFIZER INC. (US) 2007-03-01 WO disclosed
US-5397800-A Gastrointestinal disorders PFIZER INC. (US) 1995-03-14 US disclosed
EP-0510129-A1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1992-10-28 EP disclosed
WO-1992005172-A2 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1992-04-02 WO disclosed