SCHEMBL8588249

SCHEMBL8588249

O=C(O)[C@@H](CCCBr)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
TBXAS1 P24557 2/20 0.49
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
EPHX1 P07099 1/20 0.42
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8588247 1.00 CYP2C19 (0.50) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL6478880 0.94 TBXAS1 (0.51) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL8584497 0.94 TBXAS1 (0.51) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL28581228 0.93 TBXAS1 (0.54) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL4086184 0.88 CYP2C19 (0.53) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL8582632 0.88 CYP2C19 (0.53) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL14360139 0.86 TBXAS1 (0.60) CYP2C19TBXAS1CYP2D6SRCPOLB
Ammonia Solution, Strong SCHEMBL28562956 0.84 TBXAS1 (0.59) CYP2C19TBXAS1CYP2D6SRCPOLB
Ammonia Solution, Strong SCHEMBL28556745 0.84 TBXAS1 (0.59) CYP2C19TBXAS1CYP2D6SRCPOLB
SCHEMBL30371912 0.83 CYP2C19 (0.61) CYP2C19TBXAS1CYP2D6SRCPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603229-B1 QUINUCLIDINE ESTERS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1998-06-10 EP disclosed
CN-1037269-C Therapeutic compounds PFIZER (US) 1998-02-04 CN disclosed
US-5543419-A TREATING CHRONIC OBSTRUCTIVE AIRWAYS DISEASE OR ASTHMA; ANTIMUSCARINIC BRONCHODILATOR AGENTS PFIZER INC (US) 1996-08-06 US disclosed
EP-0603229-A1 QUINUCLIDINE ESTERS PROCESS AND INTERMEDIATE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1994-06-29 EP disclosed
CN-1070911-A The treatment compound PFIZER (US) 1993-04-14 CN disclosed
WO-1993006098-A1 QUINUCLIDINE ESTERS PROCESS AND INTERMEDIATE FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LIMITED (GB) 1993-04-01 WO disclosed